data_25088 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25088 _Entry.Title ; NMR solution structure of the Ubiquitin like domain (UBL) of DNA-damage-inducible 1 protein (Ddi1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-14 _Entry.Accession_date 2014-07-14 _Entry.Last_release_date 2015-03-23 _Entry.Original_release_date 2015-03-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Urszula Nowicka . . . 25088 2 David Fushman . . . 25088 3 Tony Chen . . . 25088 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25088 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA-damage-inducible 1 protein' . 25088 Ddi1 . 25088 'Ubiquitin like domain' . 25088 UBL . 25088 NMR . 25088 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25088 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 571 25088 '13C chemical shifts' 331 25088 '15N chemical shifts' 84 25088 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-03-23 2014-07-14 original author . 25088 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MRP 'BMRB Entry Tracking System' 25088 BMRB 25066 'UBA domain of DNA-damage-inducible 1 protein (Ddi1)' 25088 PDB 2MR9 'UBA domain of DNA-damage-inducible 1 protein (Ddi1)' 25088 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25088 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25703377 _Citation.Full_citation . _Citation.Title 'DNA-Damage-Inducible 1 Protein (Ddi1) Contains an Uncharacteristic Ubiquitin-like Domain that Binds Ubiquitin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 542 _Citation.Page_last 557 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Urszula Nowicka . . . 25088 1 2 Daoning Zhang . . . 25088 1 3 Olivier Walker . . . 25088 1 4 Calos Castaneda . A. . 25088 1 5 Daria Krutauz . . . 25088 1 6 Tony Chen . . . 25088 1 7 Noa Reis . . . 25088 1 8 Michael Glickman . H. . 25088 1 9 David Fushman . . . 25088 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25088 _Assembly.ID 1 _Assembly.Name Ddi1UBL _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Ddi1UBL 1 $Ddi1UBL A . yes native no no . . . 25088 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ddi1UBL _Entity.Sf_category entity _Entity.Sf_framecode Ddi1UBL _Entity.Entry_ID 25088 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ddi1UBL _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DLTISNELTGEIYGPIEVSE DMALTDLIALLQADCGFDKT KHDLYYNMDILDSNRTQSLK ELGLKTDDLLLIRGKISNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Ubiquitin like domain of DNA-damage-inducible 1 protein (Ddi1UBL)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8827.999 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P40087 . "DNA damage-inducible protein 1 (Ddi1)" . . . . . . . . . . . . . . 25088 1 2 no PDB 2MRP . "Nmr Solution Structure Of The Ubiquitin Like Domain (ubl) Of Dna- Damage-inducible 1 Protein (ddi1)" . . . . . 100.00 94 100.00 100.00 2.05e-47 . . . . 25088 1 3 no PDB 2MWS . "Structure Of The Complex Of Ubiquitin And The Ubiquitin-like (ubl) Domain Of Ddi1" . . . . . 100.00 94 100.00 100.00 2.05e-47 . . . . 25088 1 4 no DBJ GAA22973 . "K7_Ddi1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 428 100.00 100.00 3.98e-45 . . . . 25088 1 5 no EMBL CAY79329 . "Ddi1p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 428 100.00 100.00 4.90e-45 . . . . 25088 1 6 no GB AAB64670 . "Yer143wp [Saccharomyces cerevisiae]" . . . . . 100.00 428 100.00 100.00 4.90e-45 . . . . 25088 1 7 no GB AAB82066 . "cis_acting element [Saccharomyces cerevisiae]" . . . . . 100.00 428 100.00 100.00 4.90e-45 . . . . 25088 1 8 no GB AAC18522 . "v-SNARE-master 1 [Saccharomyces cerevisiae]" . . . . . 100.00 428 100.00 100.00 4.90e-45 . . . . 25088 1 9 no GB AAT92964 . "YER143W [Saccharomyces cerevisiae]" . . . . . 100.00 428 100.00 100.00 4.90e-45 . . . . 25088 1 10 no GB AHY75700 . "Ddi1p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 428 100.00 100.00 4.90e-45 . . . . 25088 1 11 no REF NP_011070 . "Ddi1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 428 100.00 100.00 4.90e-45 . . . . 25088 1 12 no SP P40087 . "RecName: Full=DNA damage-inducible protein 1; AltName: Full=v-SNARE-master 1" . . . . . 100.00 428 100.00 100.00 4.90e-45 . . . . 25088 1 13 no TPG DAA07804 . "TPA: Ddi1p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 428 100.00 100.00 4.90e-45 . . . . 25088 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 ASP . 25088 1 2 3 LEU . 25088 1 3 4 THR . 25088 1 4 5 ILE . 25088 1 5 6 SER . 25088 1 6 7 ASN . 25088 1 7 8 GLU . 25088 1 8 9 LEU . 25088 1 9 10 THR . 25088 1 10 11 GLY . 25088 1 11 12 GLU . 25088 1 12 13 ILE . 25088 1 13 14 TYR . 25088 1 14 15 GLY . 25088 1 15 16 PRO . 25088 1 16 17 ILE . 25088 1 17 18 GLU . 25088 1 18 19 VAL . 25088 1 19 20 SER . 25088 1 20 21 GLU . 25088 1 21 22 ASP . 25088 1 22 23 MET . 25088 1 23 24 ALA . 25088 1 24 25 LEU . 25088 1 25 26 THR . 25088 1 26 27 ASP . 25088 1 27 28 LEU . 25088 1 28 29 ILE . 25088 1 29 30 ALA . 25088 1 30 31 LEU . 25088 1 31 32 LEU . 25088 1 32 33 GLN . 25088 1 33 34 ALA . 25088 1 34 35 ASP . 25088 1 35 36 CYS . 25088 1 36 37 GLY . 25088 1 37 38 PHE . 25088 1 38 39 ASP . 25088 1 39 40 LYS . 25088 1 40 41 THR . 25088 1 41 42 LYS . 25088 1 42 43 HIS . 25088 1 43 44 ASP . 25088 1 44 45 LEU . 25088 1 45 46 TYR . 25088 1 46 47 TYR . 25088 1 47 48 ASN . 25088 1 48 49 MET . 25088 1 49 50 ASP . 25088 1 50 51 ILE . 25088 1 51 52 LEU . 25088 1 52 53 ASP . 25088 1 53 54 SER . 25088 1 54 55 ASN . 25088 1 55 56 ARG . 25088 1 56 57 THR . 25088 1 57 58 GLN . 25088 1 58 59 SER . 25088 1 59 60 LEU . 25088 1 60 61 LYS . 25088 1 61 62 GLU . 25088 1 62 63 LEU . 25088 1 63 64 GLY . 25088 1 64 65 LEU . 25088 1 65 66 LYS . 25088 1 66 67 THR . 25088 1 67 68 ASP . 25088 1 68 69 ASP . 25088 1 69 70 LEU . 25088 1 70 71 LEU . 25088 1 71 72 LEU . 25088 1 72 73 ILE . 25088 1 73 74 ARG . 25088 1 74 75 GLY . 25088 1 75 76 LYS . 25088 1 76 77 ILE . 25088 1 77 78 SER . 25088 1 78 79 ASN . 25088 1 79 80 SER . 25088 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASP 1 1 25088 1 . LEU 2 2 25088 1 . THR 3 3 25088 1 . ILE 4 4 25088 1 . SER 5 5 25088 1 . ASN 6 6 25088 1 . GLU 7 7 25088 1 . LEU 8 8 25088 1 . THR 9 9 25088 1 . GLY 10 10 25088 1 . GLU 11 11 25088 1 . ILE 12 12 25088 1 . TYR 13 13 25088 1 . GLY 14 14 25088 1 . PRO 15 15 25088 1 . ILE 16 16 25088 1 . GLU 17 17 25088 1 . VAL 18 18 25088 1 . SER 19 19 25088 1 . GLU 20 20 25088 1 . ASP 21 21 25088 1 . MET 22 22 25088 1 . ALA 23 23 25088 1 . LEU 24 24 25088 1 . THR 25 25 25088 1 . ASP 26 26 25088 1 . LEU 27 27 25088 1 . ILE 28 28 25088 1 . ALA 29 29 25088 1 . LEU 30 30 25088 1 . LEU 31 31 25088 1 . GLN 32 32 25088 1 . ALA 33 33 25088 1 . ASP 34 34 25088 1 . CYS 35 35 25088 1 . GLY 36 36 25088 1 . PHE 37 37 25088 1 . ASP 38 38 25088 1 . LYS 39 39 25088 1 . THR 40 40 25088 1 . LYS 41 41 25088 1 . HIS 42 42 25088 1 . ASP 43 43 25088 1 . LEU 44 44 25088 1 . TYR 45 45 25088 1 . TYR 46 46 25088 1 . ASN 47 47 25088 1 . MET 48 48 25088 1 . ASP 49 49 25088 1 . ILE 50 50 25088 1 . LEU 51 51 25088 1 . ASP 52 52 25088 1 . SER 53 53 25088 1 . ASN 54 54 25088 1 . ARG 55 55 25088 1 . THR 56 56 25088 1 . GLN 57 57 25088 1 . SER 58 58 25088 1 . LEU 59 59 25088 1 . LYS 60 60 25088 1 . GLU 61 61 25088 1 . LEU 62 62 25088 1 . GLY 63 63 25088 1 . LEU 64 64 25088 1 . LYS 65 65 25088 1 . THR 66 66 25088 1 . ASP 67 67 25088 1 . ASP 68 68 25088 1 . LEU 69 69 25088 1 . LEU 70 70 25088 1 . LEU 71 71 25088 1 . ILE 72 72 25088 1 . ARG 73 73 25088 1 . GLY 74 74 25088 1 . LYS 75 75 25088 1 . ILE 76 76 25088 1 . SER 77 77 25088 1 . ASN 78 78 25088 1 . SER 79 79 25088 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25088 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Ddi1UBL . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 25088 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25088 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Ddi1UBL . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli M15 . . . . . . . . . . . . . . . pQE30 . . . . . . 25088 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25088 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM Ddi1UBL sample in pH6.8 20mM Sodium Phosphate Buffer, with 3mM TCEP, containing 5% D2O.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ddi1UBL '[U-100% 15N]' . . 1 $Ddi1UBL . . 1 . . mM . . . . 25088 1 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 25088 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25088 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25088 1 5 TCEP 'natural abundance' . . . . . . 3 . . mM . . . . 25088 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25088 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1mM Ddi1UBL sample in pH6.8 20mM Sodium Phosphate Buffer, with 3mM TCEP, containing 5% D2O.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ddi1UBL '[U-100% 13C; U-100% 15N]' . . 1 $Ddi1UBL . . 1 . . mM . . . . 25088 2 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 25088 2 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25088 2 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25088 2 5 TCEP 'natural abundance' . . . . . . 3 . . mM . . . . 25088 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25088 _Sample.ID 3 _Sample.Type 'liquid crystal' _Sample.Sub_type . _Sample.Details '1mM Ddi1UBL sample in liquid crystalline medium' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ddi1UBL '[U-100% 15N]' . . 1 $Ddi1UBL . . 1 . . mM . . . . 25088 3 2 D2O '[U-99% 2H]' . . . . . . 5 . . % . . . . 25088 3 3 H2O 'natural abundance' . . . . . . 45 . . % . . . . 25088 3 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25088 3 5 TCEP 'natural abundance' . . . . . . 3 . . mM . . . . 25088 3 6 C12E5 'natural abundance' . . . . . . 5 . . % . . . . 25088 3 7 n-hexanol 'natural abundance' . . . . . . 45 . . % . . . . 25088 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25088 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 295.5 . K 25088 1 pH 6.8 . pH 25088 1 pressure 1 . atm 25088 1 'ionic strength' 10 . mM 25088 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 25088 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 315 . K 25088 2 pH 6.8 . pH 25088 2 pressure 1 . atm 25088 2 'ionic strength' 10 . mM 25088 2 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25088 _Software.ID 1 _Software.Name CARA _Software.Version 1.8.1 _Software.Details 'Computer Aided Resonance Assignment' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25088 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 25088 1 'chemical shift assignment' 25088 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25088 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details 'Bruker TopSpin program' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25088 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25088 2 processing 25088 2 'data analysis' 25088 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 25088 _Software.ID 3 _Software.Name ARIA _Software.Version 2.1 _Software.Details 'Ambiguous Restraints for Iterative Assignment' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 25088 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25088 3 refinement 25088 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25088 _Software.ID 4 _Software.Name TALOS _Software.Version TALOS+ _Software.Details 'Prediction of Protein Backbone Torsion Angles from NMR Chemical Shifts' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25088 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'backbone torsion angles prediction' 25088 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25088 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25088 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25088 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25088 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25088 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25088 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25088 1 4 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25088 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25088 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25088 1 7 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25088 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25088 1 9 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25088 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25088 1 11 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25088 1 12 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25088 1 13 RDC no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25088 1 14 RDC no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25088 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25088 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . . . . . 25088 1 N 15 TMS 'methyl protons' . . . . ppm 0 internal indirect 0.1013291444 . . . . . . . . . 25088 1 C 13 TMS 'methyl protons' . . . . ppm 0 internal indirect 0.251450002 . . . . . . . . . 25088 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25088 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25088 1 2 '2D 1H-1H TOCSY' . . . 25088 1 4 '3D H(CCO)NH' . . . 25088 1 6 '3D HNCO' . . . 25088 1 7 '3D HN(CA)CO' . . . 25088 1 8 '3D HN(CO)CA' . . . 25088 1 9 '3D HNCA' . . . 25088 1 10 '3D CBCA(CO)NH' . . . 25088 1 11 '3D HNCACB' . . . 25088 1 12 '3D C(CO)NH' . . . 25088 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 25088 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 5.178 0.02 . 1 . . . A 2 ASP HA . 25088 1 2 . 1 1 1 1 ASP HB2 H 1 2.66 0.02 . 2 . . . A 2 ASP HB2 . 25088 1 3 . 1 1 1 1 ASP HB3 H 1 2.278 0.02 . 2 . . . A 2 ASP HB3 . 25088 1 4 . 1 1 1 1 ASP H H 1 8.442 0.02 . 1 . . . A 2 ASP H1 . 25088 1 5 . 1 1 1 1 ASP C C 13 173.227 0.3 . 1 . . . A 2 ASP C . 25088 1 6 . 1 1 1 1 ASP CA C 13 51.154 0.3 . 1 . . . A 2 ASP CA . 25088 1 7 . 1 1 1 1 ASP N N 15 123.242 0.3 . 1 . . . A 2 ASP N . 25088 1 8 . 1 1 2 2 LEU H H 1 9.107 0.02 . 1 . . . A 3 LEU H . 25088 1 9 . 1 1 2 2 LEU HA H 1 4.781 0.02 . 1 . . . A 3 LEU HA . 25088 1 10 . 1 1 2 2 LEU HB2 H 1 1.316 0.02 . 1 . . . A 3 LEU HB2 . 25088 1 11 . 1 1 2 2 LEU HB3 H 1 1.316 0.02 . 1 . . . A 3 LEU HB3 . 25088 1 12 . 1 1 2 2 LEU HG H 1 1.274 0.02 . 1 . . . A 3 LEU HG . 25088 1 13 . 1 1 2 2 LEU HD11 H 1 0.583 0.02 . 1 . . . A 3 LEU HD11 . 25088 1 14 . 1 1 2 2 LEU HD12 H 1 0.583 0.02 . 1 . . . A 3 LEU HD12 . 25088 1 15 . 1 1 2 2 LEU HD13 H 1 0.583 0.02 . 1 . . . A 3 LEU HD13 . 25088 1 16 . 1 1 2 2 LEU HD21 H 1 0.583 0.02 . 1 . . . A 3 LEU HD21 . 25088 1 17 . 1 1 2 2 LEU HD22 H 1 0.583 0.02 . 1 . . . A 3 LEU HD22 . 25088 1 18 . 1 1 2 2 LEU HD23 H 1 0.583 0.02 . 1 . . . A 3 LEU HD23 . 25088 1 19 . 1 1 2 2 LEU C C 13 173.61 0.3 . 1 . . . A 3 LEU C . 25088 1 20 . 1 1 2 2 LEU CA C 13 50.999 0.3 . 1 . . . A 3 LEU CA . 25088 1 21 . 1 1 2 2 LEU CB C 13 43.261 0.3 . 1 . . . A 3 LEU CB . 25088 1 22 . 1 1 2 2 LEU CG C 13 23.856 0.3 . 1 . . . A 3 LEU CG . 25088 1 23 . 1 1 2 2 LEU CD1 C 13 22.633 0.3 . 1 . . . A 3 LEU CD1 . 25088 1 24 . 1 1 2 2 LEU CD2 C 13 22.633 0.3 . 1 . . . A 3 LEU CD2 . 25088 1 25 . 1 1 2 2 LEU N N 15 124.723 0.3 . 1 . . . A 3 LEU N . 25088 1 26 . 1 1 3 3 THR H H 1 8.563 0.02 . 1 . . . A 4 THR H . 25088 1 27 . 1 1 3 3 THR HA H 1 4.598 0.02 . 1 . . . A 4 THR HA . 25088 1 28 . 1 1 3 3 THR HB H 1 3.776 0.02 . 1 . . . A 4 THR HB . 25088 1 29 . 1 1 3 3 THR HG21 H 1 0.914 0.02 . 1 . . . A 4 THR HG21 . 25088 1 30 . 1 1 3 3 THR HG22 H 1 0.914 0.02 . 1 . . . A 4 THR HG22 . 25088 1 31 . 1 1 3 3 THR HG23 H 1 0.914 0.02 . 1 . . . A 4 THR HG23 . 25088 1 32 . 1 1 3 3 THR C C 13 169.982 0.3 . 1 . . . A 4 THR C . 25088 1 33 . 1 1 3 3 THR CA C 13 60.227 0.3 . 1 . . . A 4 THR CA . 25088 1 34 . 1 1 3 3 THR CB C 13 67.644 0.3 . 1 . . . A 4 THR CB . 25088 1 35 . 1 1 3 3 THR CG2 C 13 19.167 0.3 . 1 . . . A 4 THR CG2 . 25088 1 36 . 1 1 3 3 THR N N 15 121.335 0.3 . 1 . . . A 4 THR N . 25088 1 37 . 1 1 4 4 ILE H H 1 8.881 0.02 . 1 . . . A 5 ILE H . 25088 1 38 . 1 1 4 4 ILE HA H 1 5.004 0.02 . 1 . . . A 5 ILE HA . 25088 1 39 . 1 1 4 4 ILE HB H 1 2.031 0.02 . 1 . . . A 5 ILE HB . 25088 1 40 . 1 1 4 4 ILE HG12 H 1 1.266 0.02 . 1 . . . A 5 ILE HG12 . 25088 1 41 . 1 1 4 4 ILE HG13 H 1 1.266 0.02 . 1 . . . A 5 ILE HG13 . 25088 1 42 . 1 1 4 4 ILE HG21 H 1 0.676 0.02 . 1 . . . A 5 ILE HG21 . 25088 1 43 . 1 1 4 4 ILE HG22 H 1 0.676 0.02 . 1 . . . A 5 ILE HG22 . 25088 1 44 . 1 1 4 4 ILE HG23 H 1 0.676 0.02 . 1 . . . A 5 ILE HG23 . 25088 1 45 . 1 1 4 4 ILE HD11 H 1 0.611 0.02 . 1 . . . A 5 ILE HD11 . 25088 1 46 . 1 1 4 4 ILE HD12 H 1 0.611 0.02 . 1 . . . A 5 ILE HD12 . 25088 1 47 . 1 1 4 4 ILE HD13 H 1 0.611 0.02 . 1 . . . A 5 ILE HD13 . 25088 1 48 . 1 1 4 4 ILE C C 13 172.638 0.3 . 1 . . . A 5 ILE C . 25088 1 49 . 1 1 4 4 ILE CA C 13 56.141 0.3 . 1 . . . A 5 ILE CA . 25088 1 50 . 1 1 4 4 ILE CB C 13 37.027 0.3 . 1 . . . A 5 ILE CB . 25088 1 51 . 1 1 4 4 ILE CG1 C 13 25.589 0.3 . 1 . . . A 5 ILE CG1 . 25088 1 52 . 1 1 4 4 ILE CG2 C 13 16.313 0.3 . 1 . . . A 5 ILE CG2 . 25088 1 53 . 1 1 4 4 ILE CD1 C 13 11.013 0.3 . 1 . . . A 5 ILE CD1 . 25088 1 54 . 1 1 4 4 ILE N N 15 125.043 0.3 . 1 . . . A 5 ILE N . 25088 1 55 . 1 1 5 5 SER H H 1 8.701 0.02 . 1 . . . A 6 SER H . 25088 1 56 . 1 1 5 5 SER HA H 1 4.987 0.02 . 1 . . . A 6 SER HA . 25088 1 57 . 1 1 5 5 SER HB2 H 1 3.477 0.02 . 2 . . . A 6 SER HB2 . 25088 1 58 . 1 1 5 5 SER HB3 H 1 3.779 0.02 . 2 . . . A 6 SER HB3 . 25088 1 59 . 1 1 5 5 SER C C 13 170.957 0.3 . 1 . . . A 6 SER C . 25088 1 60 . 1 1 5 5 SER CA C 13 53.209 0.3 . 1 . . . A 6 SER CA . 25088 1 61 . 1 1 5 5 SER CB C 13 61.763 0.3 . 1 . . . A 6 SER CB . 25088 1 62 . 1 1 5 5 SER N N 15 120.377 0.3 . 1 . . . A 6 SER N . 25088 1 63 . 1 1 6 6 ASN H H 1 8.816 0.02 . 1 . . . A 7 ASN H . 25088 1 64 . 1 1 6 6 ASN HA H 1 4.933 0.02 . 1 . . . A 7 ASN HA . 25088 1 65 . 1 1 6 6 ASN HB2 H 1 2.31 0.02 . 2 . . . A 7 ASN HB2 . 25088 1 66 . 1 1 6 6 ASN HB3 H 1 3.369 0.02 . 2 . . . A 7 ASN HB3 . 25088 1 67 . 1 1 6 6 ASN HD21 H 1 6.412 0.02 . 1 . . . A 7 ASN HD21 . 25088 1 68 . 1 1 6 6 ASN HD22 H 1 7.696 0.02 . 1 . . . A 7 ASN HD22 . 25088 1 69 . 1 1 6 6 ASN C C 13 173.357 0.3 . 1 . . . A 7 ASN C . 25088 1 70 . 1 1 6 6 ASN CA C 13 49.948 0.3 . 1 . . . A 7 ASN CA . 25088 1 71 . 1 1 6 6 ASN CB C 13 36.767 0.3 . 1 . . . A 7 ASN CB . 25088 1 72 . 1 1 6 6 ASN N N 15 125.05 0.3 . 1 . . . A 7 ASN N . 25088 1 73 . 1 1 6 6 ASN ND2 N 15 110.694 0.3 . 1 . . . A 7 ASN ND2 . 25088 1 74 . 1 1 7 7 GLU H H 1 8.798 0.02 . 1 . . . A 8 GLU H . 25088 1 75 . 1 1 7 7 GLU HA H 1 3.997 0.02 . 1 . . . A 8 GLU HA . 25088 1 76 . 1 1 7 7 GLU HB2 H 1 1.992 0.02 . 1 . . . A 8 GLU HB2 . 25088 1 77 . 1 1 7 7 GLU HB3 H 1 1.992 0.02 . 1 . . . A 8 GLU HB3 . 25088 1 78 . 1 1 7 7 GLU HG2 H 1 2.11 0.02 . 1 . . . A 8 GLU HG2 . 25088 1 79 . 1 1 7 7 GLU HG3 H 1 2.11 0.02 . 1 . . . A 8 GLU HG3 . 25088 1 80 . 1 1 7 7 GLU C C 13 175.476 0.3 . 1 . . . A 8 GLU C . 25088 1 81 . 1 1 7 7 GLU CA C 13 55.884 0.3 . 1 . . . A 8 GLU CA . 25088 1 82 . 1 1 7 7 GLU CB C 13 28.025 0.3 . 1 . . . A 8 GLU CB . 25088 1 83 . 1 1 7 7 GLU CG C 13 35.216 0.3 . 1 . . . A 8 GLU CG . 25088 1 84 . 1 1 7 7 GLU N N 15 124.749 0.3 . 1 . . . A 8 GLU N . 25088 1 85 . 1 1 8 8 LEU H H 1 8.427 0.02 . 1 . . . A 9 LEU H . 25088 1 86 . 1 1 8 8 LEU HA H 1 4.192 0.02 . 1 . . . A 9 LEU HA . 25088 1 87 . 1 1 8 8 LEU HB2 H 1 2.039 0.02 . 1 . . . A 9 LEU HB2 . 25088 1 88 . 1 1 8 8 LEU HB3 H 1 2.039 0.02 . 1 . . . A 9 LEU HB3 . 25088 1 89 . 1 1 8 8 LEU HG H 1 1.569 0.02 . 1 . . . A 9 LEU HG . 25088 1 90 . 1 1 8 8 LEU HD11 H 1 0.757 0.02 . 1 . . . A 9 LEU HD11 . 25088 1 91 . 1 1 8 8 LEU HD12 H 1 0.757 0.02 . 1 . . . A 9 LEU HD12 . 25088 1 92 . 1 1 8 8 LEU HD13 H 1 0.757 0.02 . 1 . . . A 9 LEU HD13 . 25088 1 93 . 1 1 8 8 LEU HD21 H 1 0.757 0.02 . 1 . . . A 9 LEU HD21 . 25088 1 94 . 1 1 8 8 LEU HD22 H 1 0.757 0.02 . 1 . . . A 9 LEU HD22 . 25088 1 95 . 1 1 8 8 LEU HD23 H 1 0.757 0.02 . 1 . . . A 9 LEU HD23 . 25088 1 96 . 1 1 8 8 LEU C C 13 177.076 0.3 . 1 . . . A 9 LEU C . 25088 1 97 . 1 1 8 8 LEU CA C 13 54.876 0.3 . 1 . . . A 9 LEU CA . 25088 1 98 . 1 1 8 8 LEU CB C 13 38.324 0.3 . 1 . . . A 9 LEU CB . 25088 1 99 . 1 1 8 8 LEU CG C 13 25.487 0.3 . 1 . . . A 9 LEU CG . 25088 1 100 . 1 1 8 8 LEU CD1 C 13 22.164 0.3 . 1 . . . A 9 LEU CD1 . 25088 1 101 . 1 1 8 8 LEU CD2 C 13 22.095 0.3 . 1 . . . A 9 LEU CD2 . 25088 1 102 . 1 1 8 8 LEU N N 15 118.513 0.3 . 1 . . . A 9 LEU N . 25088 1 103 . 1 1 9 9 THR H H 1 7.239 0.02 . 1 . . . A 10 THR H . 25088 1 104 . 1 1 9 9 THR HA H 1 4.29 0.02 . 1 . . . A 10 THR HA . 25088 1 105 . 1 1 9 9 THR HB H 1 4.218 0.02 . 1 . . . A 10 THR HB . 25088 1 106 . 1 1 9 9 THR HG21 H 1 1.007 0.02 . 1 . . . A 10 THR HG21 . 25088 1 107 . 1 1 9 9 THR HG22 H 1 1.007 0.02 . 1 . . . A 10 THR HG22 . 25088 1 108 . 1 1 9 9 THR HG23 H 1 1.007 0.02 . 1 . . . A 10 THR HG23 . 25088 1 109 . 1 1 9 9 THR C C 13 174.195 0.3 . 1 . . . A 10 THR C . 25088 1 110 . 1 1 9 9 THR CA C 13 58.581 0.3 . 1 . . . A 10 THR CA . 25088 1 111 . 1 1 9 9 THR CB C 13 68.218 0.3 . 1 . . . A 10 THR CB . 25088 1 112 . 1 1 9 9 THR CG2 C 13 19.167 0.3 . 1 . . . A 10 THR CG2 . 25088 1 113 . 1 1 9 9 THR N N 15 105.721 0.3 . 1 . . . A 10 THR N . 25088 1 114 . 1 1 10 10 GLY H H 1 8.235 0.02 . 1 . . . A 11 GLY H . 25088 1 115 . 1 1 10 10 GLY HA2 H 1 3.6 0.02 . 2 . . . A 11 GLY HA2 . 25088 1 116 . 1 1 10 10 GLY HA3 H 1 4.044 0.02 . 2 . . . A 11 GLY HA3 . 25088 1 117 . 1 1 10 10 GLY C C 13 171.627 0.3 . 1 . . . A 11 GLY C . 25088 1 118 . 1 1 10 10 GLY CA C 13 43.284 0.3 . 1 . . . A 11 GLY CA . 25088 1 119 . 1 1 10 10 GLY N N 15 111.431 0.3 . 1 . . . A 11 GLY N . 25088 1 120 . 1 1 11 11 GLU H H 1 7.531 0.02 . 1 . . . A 12 GLU H . 25088 1 121 . 1 1 11 11 GLU HA H 1 4.084 0.02 . 1 . . . A 12 GLU HA . 25088 1 122 . 1 1 11 11 GLU HB2 H 1 1.647 0.02 . 1 . . . A 12 GLU HB2 . 25088 1 123 . 1 1 11 11 GLU HB3 H 1 1.647 0.02 . 1 . . . A 12 GLU HB3 . 25088 1 124 . 1 1 11 11 GLU HG2 H 1 1.966 0.02 . 2 . . . A 12 GLU HG2 . 25088 1 125 . 1 1 11 11 GLU HG3 H 1 2.04 0.02 . 2 . . . A 12 GLU HG3 . 25088 1 126 . 1 1 11 11 GLU C C 13 172.352 0.3 . 1 . . . A 12 GLU C . 25088 1 127 . 1 1 11 11 GLU CA C 13 54.097 0.3 . 1 . . . A 12 GLU CA . 25088 1 128 . 1 1 11 11 GLU CB C 13 29.675 0.3 . 1 . . . A 12 GLU CB . 25088 1 129 . 1 1 11 11 GLU CG C 13 34.191 0.3 . 1 . . . A 12 GLU CG . 25088 1 130 . 1 1 11 11 GLU N N 15 119.318 0.3 . 1 . . . A 12 GLU N . 25088 1 131 . 1 1 12 12 ILE H H 1 8.116 0.02 . 1 . . . A 13 ILE H . 25088 1 132 . 1 1 12 12 ILE HA H 1 4.742 0.02 . 1 . . . A 13 ILE HA . 25088 1 133 . 1 1 12 12 ILE HB H 1 1.511 0.02 . 1 . . . A 13 ILE HB . 25088 1 134 . 1 1 12 12 ILE HG12 H 1 1.361 0.02 . 1 . . . A 13 ILE HG12 . 25088 1 135 . 1 1 12 12 ILE HG13 H 1 1.361 0.02 . 1 . . . A 13 ILE HG13 . 25088 1 136 . 1 1 12 12 ILE HG21 H 1 0.915 0.02 . 1 . . . A 13 ILE HG21 . 25088 1 137 . 1 1 12 12 ILE HG22 H 1 0.915 0.02 . 1 . . . A 13 ILE HG22 . 25088 1 138 . 1 1 12 12 ILE HG23 H 1 0.915 0.02 . 1 . . . A 13 ILE HG23 . 25088 1 139 . 1 1 12 12 ILE HD11 H 1 0.61 0.02 . 1 . . . A 13 ILE HD11 . 25088 1 140 . 1 1 12 12 ILE HD12 H 1 0.61 0.02 . 1 . . . A 13 ILE HD12 . 25088 1 141 . 1 1 12 12 ILE HD13 H 1 0.61 0.02 . 1 . . . A 13 ILE HD13 . 25088 1 142 . 1 1 12 12 ILE C C 13 172.686 0.3 . 1 . . . A 13 ILE C . 25088 1 143 . 1 1 12 12 ILE CA C 13 57.203 0.3 . 1 . . . A 13 ILE CA . 25088 1 144 . 1 1 12 12 ILE CB C 13 37.459 0.3 . 1 . . . A 13 ILE CB . 25088 1 145 . 1 1 12 12 ILE CG1 C 13 24.875 0.3 . 1 . . . A 13 ILE CG1 . 25088 1 146 . 1 1 12 12 ILE CG2 C 13 15.09 0.3 . 1 . . . A 13 ILE CG2 . 25088 1 147 . 1 1 12 12 ILE CD1 C 13 10.095 0.3 . 1 . . . A 13 ILE CD1 . 25088 1 148 . 1 1 12 12 ILE N N 15 121.703 0.3 . 1 . . . A 13 ILE N . 25088 1 149 . 1 1 13 13 TYR H H 1 9.281 0.02 . 1 . . . A 14 TYR H . 25088 1 150 . 1 1 13 13 TYR HA H 1 4.657 0.02 . 1 . . . A 14 TYR HA . 25088 1 151 . 1 1 13 13 TYR HB2 H 1 2.715 0.02 . 2 . . . A 14 TYR HB2 . 25088 1 152 . 1 1 13 13 TYR HB3 H 1 2.863 0.02 . 2 . . . A 14 TYR HB3 . 25088 1 153 . 1 1 13 13 TYR HD1 H 1 6.876 0.02 . 1 . . . A 14 TYR HD1 . 25088 1 154 . 1 1 13 13 TYR HD2 H 1 6.876 0.02 . 1 . . . A 14 TYR HD2 . 25088 1 155 . 1 1 13 13 TYR HE1 H 1 6.577 0.02 . 1 . . . A 14 TYR HE1 . 25088 1 156 . 1 1 13 13 TYR HE2 H 1 6.577 0.02 . 1 . . . A 14 TYR HE2 . 25088 1 157 . 1 1 13 13 TYR C C 13 172.038 0.3 . 1 . . . A 14 TYR C . 25088 1 158 . 1 1 13 13 TYR CA C 13 54.023 0.3 . 1 . . . A 14 TYR CA . 25088 1 159 . 1 1 13 13 TYR CB C 13 39.535 0.3 . 1 . . . A 14 TYR CB . 25088 1 160 . 1 1 13 13 TYR N N 15 127.025 0.3 . 1 . . . A 14 TYR N . 25088 1 161 . 1 1 14 14 GLY H H 1 8.337 0.02 . 1 . . . A 15 GLY H . 25088 1 162 . 1 1 14 14 GLY HA2 H 1 3.108 0.02 . 2 . . . A 15 GLY HA2 . 25088 1 163 . 1 1 14 14 GLY HA3 H 1 4.579 0.02 . 2 . . . A 15 GLY HA3 . 25088 1 164 . 1 1 14 14 GLY C C 13 169.372 0.3 . 1 . . . A 15 GLY C . 25088 1 165 . 1 1 14 14 GLY CA C 13 40.829 0.3 . 1 . . . A 15 GLY CA . 25088 1 166 . 1 1 14 14 GLY N N 15 109.813 0.3 . 1 . . . A 15 GLY N . 25088 1 167 . 1 1 15 15 PRO HA H 1 4.579 0.02 . 1 . . . A 16 PRO HA . 25088 1 168 . 1 1 15 15 PRO HB2 H 1 2.019 0.02 . 1 . . . A 16 PRO HB2 . 25088 1 169 . 1 1 15 15 PRO HB3 H 1 2.019 0.02 . 1 . . . A 16 PRO HB3 . 25088 1 170 . 1 1 15 15 PRO HG2 H 1 1.676 0.02 . 1 . . . A 16 PRO HG2 . 25088 1 171 . 1 1 15 15 PRO HG3 H 1 1.676 0.02 . 1 . . . A 16 PRO HG3 . 25088 1 172 . 1 1 15 15 PRO HD2 H 1 3.366 0.02 . 1 . . . A 16 PRO HD2 . 25088 1 173 . 1 1 15 15 PRO HD3 H 1 3.366 0.02 . 1 . . . A 16 PRO HD3 . 25088 1 174 . 1 1 15 15 PRO C C 13 174.2 0.3 . 1 . . . A 16 PRO C . 25088 1 175 . 1 1 15 15 PRO CA C 13 59.728 0.3 . 1 . . . A 16 PRO CA . 25088 1 176 . 1 1 15 15 PRO CB C 13 31.924 0.3 . 1 . . . A 16 PRO CB . 25088 1 177 . 1 1 15 15 PRO CG C 13 22.939 0.3 . 1 . . . A 16 PRO CG . 25088 1 178 . 1 1 15 15 PRO CD C 13 47.912 0.3 . 1 . . . A 16 PRO CD . 25088 1 179 . 1 1 16 16 ILE H H 1 9.339 0.02 . 1 . . . A 17 ILE H . 25088 1 180 . 1 1 16 16 ILE HA H 1 4.262 0.02 . 1 . . . A 17 ILE HA . 25088 1 181 . 1 1 16 16 ILE HB H 1 1.614 0.02 . 1 . . . A 17 ILE HB . 25088 1 182 . 1 1 16 16 ILE HG12 H 1 0.964 0.02 . 2 . . . A 17 ILE HG12 . 25088 1 183 . 1 1 16 16 ILE HG13 H 1 1.322 0.02 . 2 . . . A 17 ILE HG13 . 25088 1 184 . 1 1 16 16 ILE HG21 H 1 0.616 0.02 . 1 . . . A 17 ILE HG21 . 25088 1 185 . 1 1 16 16 ILE HG22 H 1 0.616 0.02 . 1 . . . A 17 ILE HG22 . 25088 1 186 . 1 1 16 16 ILE HG23 H 1 0.616 0.02 . 1 . . . A 17 ILE HG23 . 25088 1 187 . 1 1 16 16 ILE HD11 H 1 0.548 0.02 . 1 . . . A 17 ILE HD11 . 25088 1 188 . 1 1 16 16 ILE HD12 H 1 0.548 0.02 . 1 . . . A 17 ILE HD12 . 25088 1 189 . 1 1 16 16 ILE HD13 H 1 0.548 0.02 . 1 . . . A 17 ILE HD13 . 25088 1 190 . 1 1 16 16 ILE C C 13 172.081 0.3 . 1 . . . A 17 ILE C . 25088 1 191 . 1 1 16 16 ILE CA C 13 57.194 0.3 . 1 . . . A 17 ILE CA . 25088 1 192 . 1 1 16 16 ILE CB C 13 37.892 0.3 . 1 . . . A 17 ILE CB . 25088 1 193 . 1 1 16 16 ILE CG1 C 13 24.264 0.3 . 1 . . . A 17 ILE CG1 . 25088 1 194 . 1 1 16 16 ILE CG2 C 13 15.192 0.3 . 1 . . . A 17 ILE CG2 . 25088 1 195 . 1 1 16 16 ILE CD1 C 13 10.911 0.3 . 1 . . . A 17 ILE CD1 . 25088 1 196 . 1 1 16 16 ILE N N 15 122.526 0.3 . 1 . . . A 17 ILE N . 25088 1 197 . 1 1 17 17 GLU H H 1 8.373 0.02 . 1 . . . A 18 GLU H . 25088 1 198 . 1 1 17 17 GLU HA H 1 4.743 0.02 . 1 . . . A 18 GLU HA . 25088 1 199 . 1 1 17 17 GLU HB2 H 1 1.645 0.02 . 1 . . . A 18 GLU HB2 . 25088 1 200 . 1 1 17 17 GLU HB3 H 1 1.645 0.02 . 1 . . . A 18 GLU HB3 . 25088 1 201 . 1 1 17 17 GLU HG2 H 1 1.899 0.02 . 1 . . . A 18 GLU HG2 . 25088 1 202 . 1 1 17 17 GLU HG3 H 1 1.899 0.02 . 1 . . . A 18 GLU HG3 . 25088 1 203 . 1 1 17 17 GLU C C 13 173.962 0.3 . 1 . . . A 18 GLU C . 25088 1 204 . 1 1 17 17 GLU CA C 13 53.597 0.3 . 1 . . . A 18 GLU CA . 25088 1 205 . 1 1 17 17 GLU CB C 13 27.628 0.3 . 1 . . . A 18 GLU CB . 25088 1 206 . 1 1 17 17 GLU CG C 13 34.049 0.3 . 1 . . . A 18 GLU CG . 25088 1 207 . 1 1 17 17 GLU N N 15 125.668 0.3 . 1 . . . A 18 GLU N . 25088 1 208 . 1 1 18 18 VAL H H 1 8.767 0.02 . 1 . . . A 19 VAL H . 25088 1 209 . 1 1 18 18 VAL HA H 1 4.535 0.02 . 1 . . . A 19 VAL HA . 25088 1 210 . 1 1 18 18 VAL HB H 1 2.003 0.02 . 1 . . . A 19 VAL HB . 25088 1 211 . 1 1 18 18 VAL HG11 H 1 0.599 0.02 . 1 . . . A 19 VAL HG11 . 25088 1 212 . 1 1 18 18 VAL HG12 H 1 0.599 0.02 . 1 . . . A 19 VAL HG12 . 25088 1 213 . 1 1 18 18 VAL HG13 H 1 0.599 0.02 . 1 . . . A 19 VAL HG13 . 25088 1 214 . 1 1 18 18 VAL HG21 H 1 0.497 0.02 . 1 . . . A 19 VAL HG21 . 25088 1 215 . 1 1 18 18 VAL HG22 H 1 0.497 0.02 . 1 . . . A 19 VAL HG22 . 25088 1 216 . 1 1 18 18 VAL HG23 H 1 0.497 0.02 . 1 . . . A 19 VAL HG23 . 25088 1 217 . 1 1 18 18 VAL C C 13 172.45 0.3 . 1 . . . A 19 VAL C . 25088 1 218 . 1 1 18 18 VAL CA C 13 56.543 0.3 . 1 . . . A 19 VAL CA . 25088 1 219 . 1 1 18 18 VAL CB C 13 32.357 0.3 . 1 . . . A 19 VAL CB . 25088 1 220 . 1 1 18 18 VAL CG1 C 13 19.677 0.3 . 1 . . . A 19 VAL CG1 . 25088 1 221 . 1 1 18 18 VAL CG2 C 13 16.619 0.3 . 1 . . . A 19 VAL CG2 . 25088 1 222 . 1 1 18 18 VAL N N 15 119.344 0.3 . 1 . . . A 19 VAL N . 25088 1 223 . 1 1 19 19 SER H H 1 7.825 0.02 . 1 . . . A 20 SER H . 25088 1 224 . 1 1 19 19 SER HA H 1 4.507 0.02 . 1 . . . A 20 SER HA . 25088 1 225 . 1 1 19 19 SER HB2 H 1 3.59 0.02 . 2 . . . A 20 SER HB2 . 25088 1 226 . 1 1 19 19 SER HB3 H 1 3.822 0.02 . 2 . . . A 20 SER HB3 . 25088 1 227 . 1 1 19 19 SER C C 13 173.487 0.3 . 1 . . . A 20 SER C . 25088 1 228 . 1 1 19 19 SER CA C 13 54.397 0.3 . 1 . . . A 20 SER CA . 25088 1 229 . 1 1 19 19 SER CB C 13 62.022 0.3 . 1 . . . A 20 SER CB . 25088 1 230 . 1 1 19 19 SER N N 15 115.508 0.3 . 1 . . . A 20 SER N . 25088 1 231 . 1 1 20 20 GLU H H 1 8.74 0.02 . 1 . . . A 21 GLU H . 25088 1 232 . 1 1 20 20 GLU HA H 1 3.875 0.02 . 1 . . . A 21 GLU HA . 25088 1 233 . 1 1 20 20 GLU HB2 H 1 1.796 0.02 . 1 . . . A 21 GLU HB2 . 25088 1 234 . 1 1 20 20 GLU HB3 H 1 1.796 0.02 . 1 . . . A 21 GLU HB3 . 25088 1 235 . 1 1 20 20 GLU HG2 H 1 2.021 0.02 . 2 . . . A 21 GLU HG2 . 25088 1 236 . 1 1 20 20 GLU HG3 H 1 2.148 0.02 . 2 . . . A 21 GLU HG3 . 25088 1 237 . 1 1 20 20 GLU C C 13 172.648 0.3 . 1 . . . A 21 GLU C . 25088 1 238 . 1 1 20 20 GLU CA C 13 55.918 0.3 . 1 . . . A 21 GLU CA . 25088 1 239 . 1 1 20 20 GLU CB C 13 26.648 0.3 . 1 . . . A 21 GLU CB . 25088 1 240 . 1 1 20 20 GLU CG C 13 33.03 0.3 . 1 . . . A 21 GLU CG . 25088 1 241 . 1 1 20 20 GLU N N 15 122.824 0.3 . 1 . . . A 21 GLU N . 25088 1 242 . 1 1 21 21 ASP H H 1 7.78 0.02 . 1 . . . A 22 ASP H . 25088 1 243 . 1 1 21 21 ASP HA H 1 4.529 0.02 . 1 . . . A 22 ASP HA . 25088 1 244 . 1 1 21 21 ASP HB2 H 1 2.377 0.02 . 2 . . . A 22 ASP HB2 . 25088 1 245 . 1 1 21 21 ASP HB3 H 1 2.632 0.02 . 2 . . . A 22 ASP HB3 . 25088 1 246 . 1 1 21 21 ASP C C 13 173.668 0.3 . 1 . . . A 22 ASP C . 25088 1 247 . 1 1 21 21 ASP CA C 13 51.146 0.3 . 1 . . . A 22 ASP CA . 25088 1 248 . 1 1 21 21 ASP CB C 13 38.584 0.3 . 1 . . . A 22 ASP CB . 25088 1 249 . 1 1 21 21 ASP N N 15 114.171 0.3 . 1 . . . A 22 ASP N . 25088 1 250 . 1 1 22 22 MET H H 1 7.346 0.02 . 1 . . . A 23 MET H . 25088 1 251 . 1 1 22 22 MET HA H 1 3.928 0.02 . 1 . . . A 23 MET HA . 25088 1 252 . 1 1 22 22 MET HB2 H 1 1.793 0.02 . 2 . . . A 23 MET HB2 . 25088 1 253 . 1 1 22 22 MET HB3 H 1 2.109 0.02 . 2 . . . A 23 MET HB3 . 25088 1 254 . 1 1 22 22 MET HG2 H 1 2.392 0.02 . 2 . . . A 23 MET HG2 . 25088 1 255 . 1 1 22 22 MET HG3 H 1 2.774 0.02 . 2 . . . A 23 MET HG3 . 25088 1 256 . 1 1 22 22 MET C C 13 172.507 0.3 . 1 . . . A 23 MET C . 25088 1 257 . 1 1 22 22 MET CA C 13 54.455 0.3 . 1 . . . A 23 MET CA . 25088 1 258 . 1 1 22 22 MET CB C 13 31.492 0.3 . 1 . . . A 23 MET CB . 25088 1 259 . 1 1 22 22 MET CG C 13 29.714 0.3 . 1 . . . A 23 MET CG . 25088 1 260 . 1 1 22 22 MET N N 15 121.446 0.3 . 1 . . . A 23 MET N . 25088 1 261 . 1 1 23 23 ALA H H 1 8.924 0.02 . 1 . . . A 24 ALA H . 25088 1 262 . 1 1 23 23 ALA HA H 1 4.435 0.02 . 1 . . . A 24 ALA HA . 25088 1 263 . 1 1 23 23 ALA HB1 H 1 1.36 0.02 . 1 . . . A 24 ALA HB1 . 25088 1 264 . 1 1 23 23 ALA HB2 H 1 1.36 0.02 . 1 . . . A 24 ALA HB2 . 25088 1 265 . 1 1 23 23 ALA HB3 H 1 1.36 0.02 . 1 . . . A 24 ALA HB3 . 25088 1 266 . 1 1 23 23 ALA C C 13 177.422 0.3 . 1 . . . A 24 ALA C . 25088 1 267 . 1 1 23 23 ALA CA C 13 49.073 0.3 . 1 . . . A 24 ALA CA . 25088 1 268 . 1 1 23 23 ALA CB C 13 16.789 0.3 . 1 . . . A 24 ALA CB . 25088 1 269 . 1 1 23 23 ALA N N 15 127.857 0.3 . 1 . . . A 24 ALA N . 25088 1 270 . 1 1 24 24 LEU H H 1 8.489 0.02 . 1 . . . A 25 LEU H . 25088 1 271 . 1 1 24 24 LEU HA H 1 3.78 0.02 . 1 . . . A 25 LEU HA . 25088 1 272 . 1 1 24 24 LEU HB2 H 1 1.737 0.02 . 1 . . . A 25 LEU HB2 . 25088 1 273 . 1 1 24 24 LEU HB3 H 1 1.737 0.02 . 1 . . . A 25 LEU HB3 . 25088 1 274 . 1 1 24 24 LEU HG H 1 1.362 0.02 . 1 . . . A 25 LEU HG . 25088 1 275 . 1 1 24 24 LEU HD11 H 1 1.107 0.02 . 1 . . . A 25 LEU HD11 . 25088 1 276 . 1 1 24 24 LEU HD12 H 1 1.107 0.02 . 1 . . . A 25 LEU HD12 . 25088 1 277 . 1 1 24 24 LEU HD13 H 1 1.107 0.02 . 1 . . . A 25 LEU HD13 . 25088 1 278 . 1 1 24 24 LEU HD21 H 1 0.601 0.02 . 1 . . . A 25 LEU HD21 . 25088 1 279 . 1 1 24 24 LEU HD22 H 1 0.601 0.02 . 1 . . . A 25 LEU HD22 . 25088 1 280 . 1 1 24 24 LEU HD23 H 1 0.601 0.02 . 1 . . . A 25 LEU HD23 . 25088 1 281 . 1 1 24 24 LEU C C 13 176.449 0.3 . 1 . . . A 25 LEU C . 25088 1 282 . 1 1 24 24 LEU CA C 13 55.833 0.3 . 1 . . . A 25 LEU CA . 25088 1 283 . 1 1 24 24 LEU CB C 13 37.978 0.3 . 1 . . . A 25 LEU CB . 25088 1 284 . 1 1 24 24 LEU CG C 13 24.977 0.3 . 1 . . . A 25 LEU CG . 25088 1 285 . 1 1 24 24 LEU CD1 C 13 23.244 0.3 . 1 . . . A 25 LEU CD1 . 25088 1 286 . 1 1 24 24 LEU CD2 C 13 20.9 0.3 . 1 . . . A 25 LEU CD2 . 25088 1 287 . 1 1 24 24 LEU N N 15 124.9 0.3 . 1 . . . A 25 LEU N . 25088 1 288 . 1 1 25 25 THR H H 1 8.24 0.02 . 1 . . . A 26 THR H . 25088 1 289 . 1 1 25 25 THR HA H 1 3.999 0.02 . 1 . . . A 26 THR HA . 25088 1 290 . 1 1 25 25 THR HB H 1 3.712 0.02 . 1 . . . A 26 THR HB . 25088 1 291 . 1 1 25 25 THR HG21 H 1 1.16 0.02 . 1 . . . A 26 THR HG21 . 25088 1 292 . 1 1 25 25 THR HG22 H 1 1.16 0.02 . 1 . . . A 26 THR HG22 . 25088 1 293 . 1 1 25 25 THR HG23 H 1 1.16 0.02 . 1 . . . A 26 THR HG23 . 25088 1 294 . 1 1 25 25 THR C C 13 174.844 0.3 . 1 . . . A 26 THR C . 25088 1 295 . 1 1 25 25 THR CA C 13 63.092 0.3 . 1 . . . A 26 THR CA . 25088 1 296 . 1 1 25 25 THR CB C 13 65.553 0.3 . 1 . . . A 26 THR CB . 25088 1 297 . 1 1 25 25 THR CG2 C 13 20.085 0.3 . 1 . . . A 26 THR CG2 . 25088 1 298 . 1 1 25 25 THR N N 15 108.42 0.3 . 1 . . . A 26 THR N . 25088 1 299 . 1 1 26 26 ASP H H 1 6.846 0.02 . 1 . . . A 27 ASP H . 25088 1 300 . 1 1 26 26 ASP HA H 1 4.494 0.02 . 1 . . . A 27 ASP HA . 25088 1 301 . 1 1 26 26 ASP HB2 H 1 2.591 0.02 . 2 . . . A 27 ASP HB2 . 25088 1 302 . 1 1 26 26 ASP HB3 H 1 2.765 0.02 . 2 . . . A 27 ASP HB3 . 25088 1 303 . 1 1 26 26 ASP C C 13 176.277 0.3 . 1 . . . A 27 ASP C . 25088 1 304 . 1 1 26 26 ASP CA C 13 54.605 0.3 . 1 . . . A 27 ASP CA . 25088 1 305 . 1 1 26 26 ASP CB C 13 37.978 0.3 . 1 . . . A 27 ASP CB . 25088 1 306 . 1 1 26 26 ASP N N 15 121.309 0.3 . 1 . . . A 27 ASP N . 25088 1 307 . 1 1 27 27 LEU H H 1 7.662 0.02 . 1 . . . A 28 LEU H . 25088 1 308 . 1 1 27 27 LEU HA H 1 3.995 0.02 . 1 . . . A 28 LEU HA . 25088 1 309 . 1 1 27 27 LEU HB2 H 1 1.905 0.02 . 2 . . . A 28 LEU HB2 . 25088 1 310 . 1 1 27 27 LEU HB3 H 1 1.949 0.02 . 2 . . . A 28 LEU HB3 . 25088 1 311 . 1 1 27 27 LEU HG H 1 1.199 0.02 . 1 . . . A 28 LEU HG . 25088 1 312 . 1 1 27 27 LEU HD11 H 1 0.661 0.02 . 1 . . . A 28 LEU HD11 . 25088 1 313 . 1 1 27 27 LEU HD12 H 1 0.661 0.02 . 1 . . . A 28 LEU HD12 . 25088 1 314 . 1 1 27 27 LEU HD13 H 1 0.661 0.02 . 1 . . . A 28 LEU HD13 . 25088 1 315 . 1 1 27 27 LEU HD21 H 1 0.522 0.02 . 1 . . . A 28 LEU HD21 . 25088 1 316 . 1 1 27 27 LEU HD22 H 1 0.522 0.02 . 1 . . . A 28 LEU HD22 . 25088 1 317 . 1 1 27 27 LEU HD23 H 1 0.522 0.02 . 1 . . . A 28 LEU HD23 . 25088 1 318 . 1 1 27 27 LEU C C 13 175.671 0.3 . 1 . . . A 28 LEU C . 25088 1 319 . 1 1 27 27 LEU CA C 13 55.497 0.3 . 1 . . . A 28 LEU CA . 25088 1 320 . 1 1 27 27 LEU CB C 13 38.128 0.3 . 1 . . . A 28 LEU CB . 25088 1 321 . 1 1 27 27 LEU CG C 13 24.875 0.3 . 1 . . . A 28 LEU CG . 25088 1 322 . 1 1 27 27 LEU CD1 C 13 23.448 0.3 . 1 . . . A 28 LEU CD1 . 25088 1 323 . 1 1 27 27 LEU CD2 C 13 20.288 0.3 . 1 . . . A 28 LEU CD2 . 25088 1 324 . 1 1 27 27 LEU N N 15 123.504 0.3 . 1 . . . A 28 LEU N . 25088 1 325 . 1 1 28 28 ILE H H 1 8.456 0.02 . 1 . . . A 29 ILE H . 25088 1 326 . 1 1 28 28 ILE HA H 1 3.092 0.02 . 1 . . . A 29 ILE HA . 25088 1 327 . 1 1 28 28 ILE HB H 1 1.797 0.02 . 1 . . . A 29 ILE HB . 25088 1 328 . 1 1 28 28 ILE HG12 H 1 1.379 0.02 . 1 . . . A 29 ILE HG12 . 25088 1 329 . 1 1 28 28 ILE HG13 H 1 1.379 0.02 . 1 . . . A 29 ILE HG13 . 25088 1 330 . 1 1 28 28 ILE HG21 H 1 0.812 0.02 . 1 . . . A 29 ILE HG21 . 25088 1 331 . 1 1 28 28 ILE HG22 H 1 0.812 0.02 . 1 . . . A 29 ILE HG22 . 25088 1 332 . 1 1 28 28 ILE HG23 H 1 0.812 0.02 . 1 . . . A 29 ILE HG23 . 25088 1 333 . 1 1 28 28 ILE HD11 H 1 0.524 0.02 . 1 . . . A 29 ILE HD11 . 25088 1 334 . 1 1 28 28 ILE HD12 H 1 0.524 0.02 . 1 . . . A 29 ILE HD12 . 25088 1 335 . 1 1 28 28 ILE HD13 H 1 0.524 0.02 . 1 . . . A 29 ILE HD13 . 25088 1 336 . 1 1 28 28 ILE C C 13 174.892 0.3 . 1 . . . A 29 ILE C . 25088 1 337 . 1 1 28 28 ILE CA C 13 62.863 0.3 . 1 . . . A 29 ILE CA . 25088 1 338 . 1 1 28 28 ILE CB C 13 34.173 0.3 . 1 . . . A 29 ILE CB . 25088 1 339 . 1 1 28 28 ILE CG1 C 13 27.016 0.3 . 1 . . . A 29 ILE CG1 . 25088 1 340 . 1 1 28 28 ILE CG2 C 13 14.784 0.3 . 1 . . . A 29 ILE CG2 . 25088 1 341 . 1 1 28 28 ILE CD1 C 13 9.687 0.3 . 1 . . . A 29 ILE CD1 . 25088 1 342 . 1 1 28 28 ILE N N 15 118.569 0.3 . 1 . . . A 29 ILE N . 25088 1 343 . 1 1 29 29 ALA H H 1 7.448 0.02 . 1 . . . A 30 ALA H . 25088 1 344 . 1 1 29 29 ALA HA H 1 4.17 0.02 . 1 . . . A 30 ALA HA . 25088 1 345 . 1 1 29 29 ALA HB1 H 1 1.423 0.02 . 1 . . . A 30 ALA HB1 . 25088 1 346 . 1 1 29 29 ALA HB2 H 1 1.423 0.02 . 1 . . . A 30 ALA HB2 . 25088 1 347 . 1 1 29 29 ALA HB3 H 1 1.423 0.02 . 1 . . . A 30 ALA HB3 . 25088 1 348 . 1 1 29 29 ALA C C 13 178.482 0.3 . 1 . . . A 30 ALA C . 25088 1 349 . 1 1 29 29 ALA CA C 13 53.015 0.3 . 1 . . . A 30 ALA CA . 25088 1 350 . 1 1 29 29 ALA CB C 13 15.318 0.3 . 1 . . . A 30 ALA CB . 25088 1 351 . 1 1 29 29 ALA N N 15 120.577 0.3 . 1 . . . A 30 ALA N . 25088 1 352 . 1 1 30 30 LEU H H 1 7.37 0.02 . 1 . . . A 31 LEU H . 25088 1 353 . 1 1 30 30 LEU HA H 1 4.087 0.02 . 1 . . . A 31 LEU HA . 25088 1 354 . 1 1 30 30 LEU HB2 H 1 1.857 0.02 . 1 . . . A 31 LEU HB2 . 25088 1 355 . 1 1 30 30 LEU HB3 H 1 1.857 0.02 . 1 . . . A 31 LEU HB3 . 25088 1 356 . 1 1 30 30 LEU HG H 1 1.614 0.02 . 1 . . . A 31 LEU HG . 25088 1 357 . 1 1 30 30 LEU HD11 H 1 0.77 0.02 . 1 . . . A 31 LEU HD11 . 25088 1 358 . 1 1 30 30 LEU HD12 H 1 0.77 0.02 . 1 . . . A 31 LEU HD12 . 25088 1 359 . 1 1 30 30 LEU HD13 H 1 0.77 0.02 . 1 . . . A 31 LEU HD13 . 25088 1 360 . 1 1 30 30 LEU HD21 H 1 0.77 0.02 . 1 . . . A 31 LEU HD21 . 25088 1 361 . 1 1 30 30 LEU HD22 H 1 0.77 0.02 . 1 . . . A 31 LEU HD22 . 25088 1 362 . 1 1 30 30 LEU HD23 H 1 0.77 0.02 . 1 . . . A 31 LEU HD23 . 25088 1 363 . 1 1 30 30 LEU C C 13 176.253 0.3 . 1 . . . A 31 LEU C . 25088 1 364 . 1 1 30 30 LEU CA C 13 55.923 0.3 . 1 . . . A 31 LEU CA . 25088 1 365 . 1 1 30 30 LEU CB C 13 39.449 0.3 . 1 . . . A 31 LEU CB . 25088 1 366 . 1 1 30 30 LEU CG C 13 24.672 0.3 . 1 . . . A 31 LEU CG . 25088 1 367 . 1 1 30 30 LEU CD1 C 13 22.429 0.3 . 1 . . . A 31 LEU CD1 . 25088 1 368 . 1 1 30 30 LEU CD2 C 13 22.429 0.3 . 1 . . . A 31 LEU CD2 . 25088 1 369 . 1 1 30 30 LEU N N 15 121.25 0.3 . 1 . . . A 31 LEU N . 25088 1 370 . 1 1 31 31 LEU H H 1 8.298 0.02 . 1 . . . A 32 LEU H . 25088 1 371 . 1 1 31 31 LEU HA H 1 3.651 0.02 . 1 . . . A 32 LEU HA . 25088 1 372 . 1 1 31 31 LEU HB2 H 1 1.616 0.02 . 2 . . . A 32 LEU HB2 . 25088 1 373 . 1 1 31 31 LEU HB3 H 1 1.748 0.02 . 2 . . . A 32 LEU HB3 . 25088 1 374 . 1 1 31 31 LEU HG H 1 0.882 0.02 . 1 . . . A 32 LEU HG . 25088 1 375 . 1 1 31 31 LEU HD11 H 1 0.47 0.02 . 1 . . . A 32 LEU HD11 . 25088 1 376 . 1 1 31 31 LEU HD12 H 1 0.47 0.02 . 1 . . . A 32 LEU HD12 . 25088 1 377 . 1 1 31 31 LEU HD13 H 1 0.47 0.02 . 1 . . . A 32 LEU HD13 . 25088 1 378 . 1 1 31 31 LEU HD21 H 1 0.244 0.02 . 1 . . . A 32 LEU HD21 . 25088 1 379 . 1 1 31 31 LEU HD22 H 1 0.244 0.02 . 1 . . . A 32 LEU HD22 . 25088 1 380 . 1 1 31 31 LEU HD23 H 1 0.244 0.02 . 1 . . . A 32 LEU HD23 . 25088 1 381 . 1 1 31 31 LEU C C 13 178.783 0.3 . 1 . . . A 32 LEU C . 25088 1 382 . 1 1 31 31 LEU CA C 13 54.969 0.3 . 1 . . . A 32 LEU CA . 25088 1 383 . 1 1 31 31 LEU CB C 13 38.151 0.3 . 1 . . . A 32 LEU CB . 25088 1 384 . 1 1 31 31 LEU CG C 13 26.201 0.3 . 1 . . . A 32 LEU CG . 25088 1 385 . 1 1 31 31 LEU CD1 C 13 23.958 0.3 . 1 . . . A 32 LEU CD1 . 25088 1 386 . 1 1 31 31 LEU CD2 C 13 20.798 0.3 . 1 . . . A 32 LEU CD2 . 25088 1 387 . 1 1 31 31 LEU N N 15 117.774 0.3 . 1 . . . A 32 LEU N . 25088 1 388 . 1 1 32 32 GLN H H 1 8.824 0.02 . 1 . . . A 33 GLN H . 25088 1 389 . 1 1 32 32 GLN HA H 1 4.556 0.02 . 1 . . . A 33 GLN HA . 25088 1 390 . 1 1 32 32 GLN HB2 H 1 2.104 0.02 . 2 . . . A 33 GLN HB2 . 25088 1 391 . 1 1 32 32 GLN HB3 H 1 2.248 0.02 . 2 . . . A 33 GLN HB3 . 25088 1 392 . 1 1 32 32 GLN HG2 H 1 2.419 0.02 . 2 . . . A 33 GLN HG2 . 25088 1 393 . 1 1 32 32 GLN HG3 H 1 2.616 0.02 . 2 . . . A 33 GLN HG3 . 25088 1 394 . 1 1 32 32 GLN HE21 H 1 6.83 0.02 . 1 . . . A 33 GLN HE21 . 25088 1 395 . 1 1 32 32 GLN HE22 H 1 7.396 0.02 . 1 . . . A 33 GLN HE22 . 25088 1 396 . 1 1 32 32 GLN C C 13 175.089 0.3 . 1 . . . A 33 GLN C . 25088 1 397 . 1 1 32 32 GLN CA C 13 56.277 0.3 . 1 . . . A 33 GLN CA . 25088 1 398 . 1 1 32 32 GLN CB C 13 27.081 0.3 . 1 . . . A 33 GLN CB . 25088 1 399 . 1 1 32 32 GLN CG C 13 32.113 0.3 . 1 . . . A 33 GLN CG . 25088 1 400 . 1 1 32 32 GLN N N 15 120.632 0.3 . 1 . . . A 33 GLN N . 25088 1 401 . 1 1 32 32 GLN NE2 N 15 110.796 0.3 . 1 . . . A 33 GLN NE2 . 25088 1 402 . 1 1 33 33 ALA H H 1 7.426 0.02 . 1 . . . A 34 ALA H . 25088 1 403 . 1 1 33 33 ALA HA H 1 4.093 0.02 . 1 . . . A 34 ALA HA . 25088 1 404 . 1 1 33 33 ALA HB1 H 1 1.385 0.02 . 1 . . . A 34 ALA HB1 . 25088 1 405 . 1 1 33 33 ALA HB2 H 1 1.385 0.02 . 1 . . . A 34 ALA HB2 . 25088 1 406 . 1 1 33 33 ALA HB3 H 1 1.385 0.02 . 1 . . . A 34 ALA HB3 . 25088 1 407 . 1 1 33 33 ALA C C 13 177.682 0.3 . 1 . . . A 34 ALA C . 25088 1 408 . 1 1 33 33 ALA CA C 13 52.55 0.3 . 1 . . . A 34 ALA CA . 25088 1 409 . 1 1 33 33 ALA CB C 13 16.356 0.3 . 1 . . . A 34 ALA CB . 25088 1 410 . 1 1 33 33 ALA N N 15 120.396 0.3 . 1 . . . A 34 ALA N . 25088 1 411 . 1 1 34 34 ASP H H 1 8.39 0.02 . 1 . . . A 35 ASP H . 25088 1 412 . 1 1 34 34 ASP HA H 1 4.714 0.02 . 1 . . . A 35 ASP HA . 25088 1 413 . 1 1 34 34 ASP HB2 H 1 2.389 0.02 . 2 . . . A 35 ASP HB2 . 25088 1 414 . 1 1 34 34 ASP HB3 H 1 2.452 0.02 . 2 . . . A 35 ASP HB3 . 25088 1 415 . 1 1 34 34 ASP C C 13 175.93 0.3 . 1 . . . A 35 ASP C . 25088 1 416 . 1 1 34 34 ASP CA C 13 53.393 0.3 . 1 . . . A 35 ASP CA . 25088 1 417 . 1 1 34 34 ASP CB C 13 40.4 0.3 . 1 . . . A 35 ASP CB . 25088 1 418 . 1 1 34 34 ASP N N 15 113.552 0.3 . 1 . . . A 35 ASP N . 25088 1 419 . 1 1 35 35 CYS H H 1 7.565 0.02 . 1 . . . A 36 CYS H . 25088 1 420 . 1 1 35 35 CYS HA H 1 4.059 0.02 . 1 . . . A 36 CYS HA . 25088 1 421 . 1 1 35 35 CYS HB2 H 1 2.288 0.02 . 2 . . . A 36 CYS HB2 . 25088 1 422 . 1 1 35 35 CYS HB3 H 1 2.609 0.02 . 2 . . . A 36 CYS HB3 . 25088 1 423 . 1 1 35 35 CYS C C 13 172.148 0.3 . 1 . . . A 36 CYS C . 25088 1 424 . 1 1 35 35 CYS CA C 13 54.455 0.3 . 1 . . . A 36 CYS CA . 25088 1 425 . 1 1 35 35 CYS CB C 13 26.994 0.3 . 1 . . . A 36 CYS CB . 25088 1 426 . 1 1 35 35 CYS N N 15 114.183 0.3 . 1 . . . A 36 CYS N . 25088 1 427 . 1 1 36 36 GLY H H 1 7.817 0.02 . 1 . . . A 37 GLY H . 25088 1 428 . 1 1 36 36 GLY HA2 H 1 3.699 0.02 . 1 . . . A 37 GLY HA2 . 25088 1 429 . 1 1 36 36 GLY HA3 H 1 3.699 0.02 . 1 . . . A 37 GLY HA3 . 25088 1 430 . 1 1 36 36 GLY C C 13 172.211 0.3 . 1 . . . A 37 GLY C . 25088 1 431 . 1 1 36 36 GLY CA C 13 44.002 0.3 . 1 . . . A 37 GLY CA . 25088 1 432 . 1 1 36 36 GLY N N 15 106.664 0.3 . 1 . . . A 37 GLY N . 25088 1 433 . 1 1 37 37 PHE H H 1 7.271 0.02 . 1 . . . A 38 PHE H . 25088 1 434 . 1 1 37 37 PHE HA H 1 4.46 0.02 . 1 . . . A 38 PHE HA . 25088 1 435 . 1 1 37 37 PHE HB2 H 1 2.255 0.02 . 2 . . . A 38 PHE HB2 . 25088 1 436 . 1 1 37 37 PHE HB3 H 1 2.41 0.02 . 2 . . . A 38 PHE HB3 . 25088 1 437 . 1 1 37 37 PHE HD1 H 1 6.885 0.02 . 1 . . . A 38 PHE HD1 . 25088 1 438 . 1 1 37 37 PHE HD2 H 1 6.885 0.02 . 1 . . . A 38 PHE HD2 . 25088 1 439 . 1 1 37 37 PHE HE1 H 1 6.993 0.02 . 1 . . . A 38 PHE HE1 . 25088 1 440 . 1 1 37 37 PHE HE2 H 1 6.993 0.02 . 1 . . . A 38 PHE HE2 . 25088 1 441 . 1 1 37 37 PHE HZ H 1 7.217 0.02 . 1 . . . A 38 PHE HZ . 25088 1 442 . 1 1 37 37 PHE C C 13 171.682 0.3 . 1 . . . A 38 PHE C . 25088 1 443 . 1 1 37 37 PHE CA C 13 55.712 0.3 . 1 . . . A 38 PHE CA . 25088 1 444 . 1 1 37 37 PHE CB C 13 38.411 0.3 . 1 . . . A 38 PHE CB . 25088 1 445 . 1 1 37 37 PHE N N 15 119.727 0.3 . 1 . . . A 38 PHE N . 25088 1 446 . 1 1 38 38 ASP H H 1 10.554 0.02 . 1 . . . A 39 ASP H . 25088 1 447 . 1 1 38 38 ASP HA H 1 4.539 0.02 . 1 . . . A 39 ASP HA . 25088 1 448 . 1 1 38 38 ASP HB2 H 1 1.993 0.02 . 2 . . . A 39 ASP HB2 . 25088 1 449 . 1 1 38 38 ASP HB3 H 1 2.089 0.02 . 2 . . . A 39 ASP HB3 . 25088 1 450 . 1 1 38 38 ASP C C 13 173.724 0.3 . 1 . . . A 39 ASP C . 25088 1 451 . 1 1 38 38 ASP CA C 13 49.216 0.3 . 1 . . . A 39 ASP CA . 25088 1 452 . 1 1 38 38 ASP CB C 13 39.629 0.3 . 1 . . . A 39 ASP CB . 25088 1 453 . 1 1 38 38 ASP N N 15 132.964 0.3 . 1 . . . A 39 ASP N . 25088 1 454 . 1 1 39 39 LYS H H 1 8.764 0.02 . 1 . . . A 40 LYS H . 25088 1 455 . 1 1 39 39 LYS HA H 1 3.86 0.02 . 1 . . . A 40 LYS HA . 25088 1 456 . 1 1 39 39 LYS HB2 H 1 1.828 0.02 . 1 . . . A 40 LYS HB2 . 25088 1 457 . 1 1 39 39 LYS HB3 H 1 1.828 0.02 . 1 . . . A 40 LYS HB3 . 25088 1 458 . 1 1 39 39 LYS HG2 H 1 1.283 0.02 . 2 . . . A 40 LYS HG2 . 25088 1 459 . 1 1 39 39 LYS HG3 H 1 1.465 0.02 . 2 . . . A 40 LYS HG3 . 25088 1 460 . 1 1 39 39 LYS HD2 H 1 1.594 0.02 . 2 . . . A 40 LYS HD2 . 25088 1 461 . 1 1 39 39 LYS HD3 H 1 1.697 0.02 . 2 . . . A 40 LYS HD3 . 25088 1 462 . 1 1 39 39 LYS HE2 H 1 2.83 0.02 . 1 . . . A 40 LYS HE2 . 25088 1 463 . 1 1 39 39 LYS HE3 H 1 2.83 0.02 . 1 . . . A 40 LYS HE3 . 25088 1 464 . 1 1 39 39 LYS C C 13 174.524 0.3 . 1 . . . A 40 LYS C . 25088 1 465 . 1 1 39 39 LYS CA C 13 55.884 0.3 . 1 . . . A 40 LYS CA . 25088 1 466 . 1 1 39 39 LYS CB C 13 30.021 0.3 . 1 . . . A 40 LYS CB . 25088 1 467 . 1 1 39 39 LYS CG C 13 22.225 0.3 . 1 . . . A 40 LYS CG . 25088 1 468 . 1 1 39 39 LYS CD C 13 27.322 0.3 . 1 . . . A 40 LYS CD . 25088 1 469 . 1 1 39 39 LYS CE C 13 39.452 0.3 . 1 . . . A 40 LYS CE . 25088 1 470 . 1 1 39 39 LYS N N 15 124.102 0.3 . 1 . . . A 40 LYS N . 25088 1 471 . 1 1 40 40 THR H H 1 8.403 0.02 . 1 . . . A 41 THR H . 25088 1 472 . 1 1 40 40 THR HA H 1 4.13 0.02 . 1 . . . A 41 THR HA . 25088 1 473 . 1 1 40 40 THR HB H 1 4.017 0.02 . 1 . . . A 41 THR HB . 25088 1 474 . 1 1 40 40 THR HG21 H 1 1.047 0.02 . 1 . . . A 41 THR HG21 . 25088 1 475 . 1 1 40 40 THR HG22 H 1 1.047 0.02 . 1 . . . A 41 THR HG22 . 25088 1 476 . 1 1 40 40 THR HG23 H 1 1.047 0.02 . 1 . . . A 41 THR HG23 . 25088 1 477 . 1 1 40 40 THR C C 13 173.072 0.3 . 1 . . . A 41 THR C . 25088 1 478 . 1 1 40 40 THR CA C 13 60.987 0.3 . 1 . . . A 41 THR CA . 25088 1 479 . 1 1 40 40 THR CB C 13 66.962 0.3 . 1 . . . A 41 THR CB . 25088 1 480 . 1 1 40 40 THR CG2 C 13 19.269 0.3 . 1 . . . A 41 THR CG2 . 25088 1 481 . 1 1 40 40 THR N N 15 109.254 0.3 . 1 . . . A 41 THR N . 25088 1 482 . 1 1 41 41 LYS H H 1 7.043 0.02 . 1 . . . A 42 LYS H . 25088 1 483 . 1 1 41 41 LYS HA H 1 4.233 0.02 . 1 . . . A 42 LYS HA . 25088 1 484 . 1 1 41 41 LYS HB2 H 1 1.309 0.02 . 1 . . . A 42 LYS HB2 . 25088 1 485 . 1 1 41 41 LYS HB3 H 1 1.309 0.02 . 1 . . . A 42 LYS HB3 . 25088 1 486 . 1 1 41 41 LYS HG2 H 1 0.57 0.02 . 2 . . . A 42 LYS HG2 . 25088 1 487 . 1 1 41 41 LYS HG3 H 1 0.842 0.02 . 2 . . . A 42 LYS HG3 . 25088 1 488 . 1 1 41 41 LYS HD2 H 1 1.28 0.02 . 1 . . . A 42 LYS HD2 . 25088 1 489 . 1 1 41 41 LYS HD3 H 1 1.28 0.02 . 1 . . . A 42 LYS HD3 . 25088 1 490 . 1 1 41 41 LYS HE2 H 1 2.663 0.02 . 1 . . . A 42 LYS HE2 . 25088 1 491 . 1 1 41 41 LYS HE3 H 1 2.663 0.02 . 1 . . . A 42 LYS HE3 . 25088 1 492 . 1 1 41 41 LYS C C 13 173.383 0.3 . 1 . . . A 42 LYS C . 25088 1 493 . 1 1 41 41 LYS CA C 13 53.817 0.3 . 1 . . . A 42 LYS CA . 25088 1 494 . 1 1 41 41 LYS CB C 13 33.389 0.3 . 1 . . . A 42 LYS CB . 25088 1 495 . 1 1 41 41 LYS CG C 13 21.919 0.3 . 1 . . . A 42 LYS CG . 25088 1 496 . 1 1 41 41 LYS CD C 13 26.608 0.3 . 1 . . . A 42 LYS CD . 25088 1 497 . 1 1 41 41 LYS CE C 13 39.452 0.3 . 1 . . . A 42 LYS CE . 25088 1 498 . 1 1 41 41 LYS N N 15 118.219 0.3 . 1 . . . A 42 LYS N . 25088 1 499 . 1 1 42 42 HIS H H 1 8.004 0.02 . 1 . . . A 43 HIS H . 25088 1 500 . 1 1 42 42 HIS HA H 1 5.377 0.02 . 1 . . . A 43 HIS HA . 25088 1 501 . 1 1 42 42 HIS HB2 H 1 2.195 0.02 . 2 . . . A 43 HIS HB2 . 25088 1 502 . 1 1 42 42 HIS HB3 H 1 2.764 0.02 . 2 . . . A 43 HIS HB3 . 25088 1 503 . 1 1 42 42 HIS HD2 H 1 6.399 0.02 . 1 . . . A 43 HIS HD2 . 25088 1 504 . 1 1 42 42 HIS HE1 H 1 7.605 0.02 . 1 . . . A 43 HIS HE1 . 25088 1 505 . 1 1 42 42 HIS HE2 H 1 11.408 0.02 . 1 . . . A 43 HIS HE2 . 25088 1 506 . 1 1 42 42 HIS C C 13 171.059 0.3 . 1 . . . A 43 HIS C . 25088 1 507 . 1 1 42 42 HIS CA C 13 51.503 0.3 . 1 . . . A 43 HIS CA . 25088 1 508 . 1 1 42 42 HIS CB C 13 34.428 0.3 . 1 . . . A 43 HIS CB . 25088 1 509 . 1 1 42 42 HIS N N 15 121.191 0.3 . 1 . . . A 43 HIS N . 25088 1 510 . 1 1 43 43 ASP H H 1 9.023 0.02 . 1 . . . A 44 ASP H . 25088 1 511 . 1 1 43 43 ASP HA H 1 5.114 0.02 . 1 . . . A 44 ASP HA . 25088 1 512 . 1 1 43 43 ASP HB2 H 1 2.376 0.02 . 1 . . . A 44 ASP HB2 . 25088 1 513 . 1 1 43 43 ASP HB3 H 1 2.376 0.02 . 1 . . . A 44 ASP HB3 . 25088 1 514 . 1 1 43 43 ASP C C 13 171.777 0.3 . 1 . . . A 44 ASP C . 25088 1 515 . 1 1 43 43 ASP CA C 13 51.116 0.3 . 1 . . . A 44 ASP CA . 25088 1 516 . 1 1 43 43 ASP CB C 13 44.292 0.3 . 1 . . . A 44 ASP CB . 25088 1 517 . 1 1 43 43 ASP N N 15 118.132 0.3 . 1 . . . A 44 ASP N . 25088 1 518 . 1 1 44 44 LEU H H 1 9.024 0.02 . 1 . . . A 45 LEU H . 25088 1 519 . 1 1 44 44 LEU HA H 1 5.158 0.02 . 1 . . . A 45 LEU HA . 25088 1 520 . 1 1 44 44 LEU HB2 H 1 1.232 0.02 . 2 . . . A 45 LEU HB2 . 25088 1 521 . 1 1 44 44 LEU HB3 H 1 1.494 0.02 . 2 . . . A 45 LEU HB3 . 25088 1 522 . 1 1 44 44 LEU HG H 1 1.283 0.02 . 1 . . . A 45 LEU HG . 25088 1 523 . 1 1 44 44 LEU HD11 H 1 0.41 0.02 . 1 . . . A 45 LEU HD11 . 25088 1 524 . 1 1 44 44 LEU HD12 H 1 0.41 0.02 . 1 . . . A 45 LEU HD12 . 25088 1 525 . 1 1 44 44 LEU HD13 H 1 0.41 0.02 . 1 . . . A 45 LEU HD13 . 25088 1 526 . 1 1 44 44 LEU HD21 H 1 0.259 0.02 . 1 . . . A 45 LEU HD21 . 25088 1 527 . 1 1 44 44 LEU HD22 H 1 0.259 0.02 . 1 . . . A 45 LEU HD22 . 25088 1 528 . 1 1 44 44 LEU HD23 H 1 0.259 0.02 . 1 . . . A 45 LEU HD23 . 25088 1 529 . 1 1 44 44 LEU C C 13 172.55 0.3 . 1 . . . A 45 LEU C . 25088 1 530 . 1 1 44 44 LEU CA C 13 50.728 0.3 . 1 . . . A 45 LEU CA . 25088 1 531 . 1 1 44 44 LEU CB C 13 42.389 0.3 . 1 . . . A 45 LEU CB . 25088 1 532 . 1 1 44 44 LEU CG C 13 23.143 0.3 . 1 . . . A 45 LEU CG . 25088 1 533 . 1 1 44 44 LEU CD1 C 13 21.614 0.3 . 1 . . . A 45 LEU CD1 . 25088 1 534 . 1 1 44 44 LEU CD2 C 13 21.614 0.3 . 1 . . . A 45 LEU CD2 . 25088 1 535 . 1 1 44 44 LEU N N 15 121.871 0.3 . 1 . . . A 45 LEU N . 25088 1 536 . 1 1 45 45 TYR H H 1 9.62 0.02 . 1 . . . A 46 TYR H . 25088 1 537 . 1 1 45 45 TYR HA H 1 5.074 0.02 . 1 . . . A 46 TYR HA . 25088 1 538 . 1 1 45 45 TYR HB2 H 1 2.552 0.02 . 2 . . . A 46 TYR HB2 . 25088 1 539 . 1 1 45 45 TYR HB3 H 1 2.774 0.02 . 2 . . . A 46 TYR HB3 . 25088 1 540 . 1 1 45 45 TYR HD1 H 1 6.674 0.02 . 1 . . . A 46 TYR HD1 . 25088 1 541 . 1 1 45 45 TYR HD2 H 1 6.674 0.02 . 1 . . . A 46 TYR HD2 . 25088 1 542 . 1 1 45 45 TYR HE1 H 1 6.63 0.02 . 1 . . . A 46 TYR HE1 . 25088 1 543 . 1 1 45 45 TYR HE2 H 1 6.63 0.02 . 1 . . . A 46 TYR HE2 . 25088 1 544 . 1 1 45 45 TYR C C 13 173.178 0.3 . 1 . . . A 46 TYR C . 25088 1 545 . 1 1 45 45 TYR CA C 13 54.45 0.3 . 1 . . . A 46 TYR CA . 25088 1 546 . 1 1 45 45 TYR CB C 13 39.73 0.3 . 1 . . . A 46 TYR CB . 25088 1 547 . 1 1 45 45 TYR N N 15 123.28 0.3 . 1 . . . A 46 TYR N . 25088 1 548 . 1 1 46 46 TYR H H 1 8.71 0.02 . 1 . . . A 47 TYR H . 25088 1 549 . 1 1 46 46 TYR HA H 1 4.911 0.02 . 1 . . . A 47 TYR HA . 25088 1 550 . 1 1 46 46 TYR HB2 H 1 2.701 0.02 . 1 . . . A 47 TYR HB2 . 25088 1 551 . 1 1 46 46 TYR HB3 H 1 2.701 0.02 . 1 . . . A 47 TYR HB3 . 25088 1 552 . 1 1 46 46 TYR HD1 H 1 7.085 0.02 . 1 . . . A 47 TYR HD1 . 25088 1 553 . 1 1 46 46 TYR HD2 H 1 7.085 0.02 . 1 . . . A 47 TYR HD2 . 25088 1 554 . 1 1 46 46 TYR HE1 H 1 6.758 0.02 . 1 . . . A 47 TYR HE1 . 25088 1 555 . 1 1 46 46 TYR HE2 H 1 6.758 0.02 . 1 . . . A 47 TYR HE2 . 25088 1 556 . 1 1 46 46 TYR C C 13 173.141 0.3 . 1 . . . A 47 TYR C . 25088 1 557 . 1 1 46 46 TYR CA C 13 53.83 0.3 . 1 . . . A 47 TYR CA . 25088 1 558 . 1 1 46 46 TYR CB C 13 38.238 0.3 . 1 . . . A 47 TYR CB . 25088 1 559 . 1 1 46 46 TYR N N 15 119.601 0.3 . 1 . . . A 47 TYR N . 25088 1 560 . 1 1 47 47 ASN H H 1 9.14 0.02 . 1 . . . A 48 ASN H . 25088 1 561 . 1 1 47 47 ASN HA H 1 3.865 0.02 . 1 . . . A 48 ASN HA . 25088 1 562 . 1 1 47 47 ASN HB2 H 1 2.37 0.02 . 2 . . . A 48 ASN HB2 . 25088 1 563 . 1 1 47 47 ASN HB3 H 1 2.647 0.02 . 2 . . . A 48 ASN HB3 . 25088 1 564 . 1 1 47 47 ASN HD21 H 1 6.482 0.02 . 1 . . . A 48 ASN HD21 . 25088 1 565 . 1 1 47 47 ASN HD22 H 1 7.001 0.02 . 1 . . . A 48 ASN HD22 . 25088 1 566 . 1 1 47 47 ASN C C 13 171.951 0.3 . 1 . . . A 48 ASN C . 25088 1 567 . 1 1 47 47 ASN CA C 13 52.395 0.3 . 1 . . . A 48 ASN CA . 25088 1 568 . 1 1 47 47 ASN CB C 13 34 0.3 . 1 . . . A 48 ASN CB . 25088 1 569 . 1 1 47 47 ASN N N 15 127.212 0.3 . 1 . . . A 48 ASN N . 25088 1 570 . 1 1 47 47 ASN ND2 N 15 112.977 0.3 . 1 . . . A 48 ASN ND2 . 25088 1 571 . 1 1 48 48 MET H H 1 8.422 0.02 . 1 . . . A 49 MET H . 25088 1 572 . 1 1 48 48 MET HA H 1 4.222 0.02 . 1 . . . A 49 MET HA . 25088 1 573 . 1 1 48 48 MET HB2 H 1 2.084 0.02 . 2 . . . A 49 MET HB2 . 25088 1 574 . 1 1 48 48 MET HB3 H 1 2.188 0.02 . 2 . . . A 49 MET HB3 . 25088 1 575 . 1 1 48 48 MET HG2 H 1 2.32 0.02 . 2 . . . A 49 MET HG2 . 25088 1 576 . 1 1 48 48 MET HG3 H 1 2.501 0.02 . 2 . . . A 49 MET HG3 . 25088 1 577 . 1 1 48 48 MET C C 13 172.859 0.3 . 1 . . . A 49 MET C . 25088 1 578 . 1 1 48 48 MET CA C 13 53.597 0.3 . 1 . . . A 49 MET CA . 25088 1 579 . 1 1 48 48 MET CB C 13 28.292 0.3 . 1 . . . A 49 MET CB . 25088 1 580 . 1 1 48 48 MET CG C 13 30.176 0.3 . 1 . . . A 49 MET CG . 25088 1 581 . 1 1 48 48 MET N N 15 113.563 0.3 . 1 . . . A 49 MET N . 25088 1 582 . 1 1 49 49 ASP H H 1 7.934 0.02 . 1 . . . A 50 ASP H . 25088 1 583 . 1 1 49 49 ASP HA H 1 4.866 0.02 . 1 . . . A 50 ASP HA . 25088 1 584 . 1 1 49 49 ASP HB2 H 1 2.501 0.02 . 2 . . . A 50 ASP HB2 . 25088 1 585 . 1 1 49 49 ASP HB3 H 1 2.593 0.02 . 2 . . . A 50 ASP HB3 . 25088 1 586 . 1 1 49 49 ASP C C 13 171.857 0.3 . 1 . . . A 50 ASP C . 25088 1 587 . 1 1 49 49 ASP CA C 13 50.991 0.3 . 1 . . . A 50 ASP CA . 25088 1 588 . 1 1 49 49 ASP CB C 13 40.919 0.3 . 1 . . . A 50 ASP CB . 25088 1 589 . 1 1 49 49 ASP N N 15 119.979 0.3 . 1 . . . A 50 ASP N . 25088 1 590 . 1 1 50 50 ILE H H 1 8.119 0.02 . 1 . . . A 51 ILE H . 25088 1 591 . 1 1 50 50 ILE HA H 1 3.341 0.02 . 1 . . . A 51 ILE HA . 25088 1 592 . 1 1 50 50 ILE HB H 1 1.237 0.02 . 1 . . . A 51 ILE HB . 25088 1 593 . 1 1 50 50 ILE HG12 H 1 0.956 0.02 . 1 . . . A 51 ILE HG12 . 25088 1 594 . 1 1 50 50 ILE HG13 H 1 0.956 0.02 . 1 . . . A 51 ILE HG13 . 25088 1 595 . 1 1 50 50 ILE HG21 H 1 0.549 0.02 . 1 . . . A 51 ILE HG21 . 25088 1 596 . 1 1 50 50 ILE HG22 H 1 0.549 0.02 . 1 . . . A 51 ILE HG22 . 25088 1 597 . 1 1 50 50 ILE HG23 H 1 0.549 0.02 . 1 . . . A 51 ILE HG23 . 25088 1 598 . 1 1 50 50 ILE HD11 H 1 0.09 0.02 . 1 . . . A 51 ILE HD11 . 25088 1 599 . 1 1 50 50 ILE HD12 H 1 0.09 0.02 . 1 . . . A 51 ILE HD12 . 25088 1 600 . 1 1 50 50 ILE HD13 H 1 0.09 0.02 . 1 . . . A 51 ILE HD13 . 25088 1 601 . 1 1 50 50 ILE C C 13 174.142 0.3 . 1 . . . A 51 ILE C . 25088 1 602 . 1 1 50 50 ILE CA C 13 59.141 0.3 . 1 . . . A 51 ILE CA . 25088 1 603 . 1 1 50 50 ILE CB C 13 36.249 0.3 . 1 . . . A 51 ILE CB . 25088 1 604 . 1 1 50 50 ILE CG1 C 13 26.914 0.3 . 1 . . . A 51 ILE CG1 . 25088 1 605 . 1 1 50 50 ILE CG2 C 13 14.478 0.3 . 1 . . . A 51 ILE CG2 . 25088 1 606 . 1 1 50 50 ILE CD1 C 13 11.522 0.3 . 1 . . . A 51 ILE CD1 . 25088 1 607 . 1 1 50 50 ILE N N 15 122.114 0.3 . 1 . . . A 51 ILE N . 25088 1 608 . 1 1 51 51 LEU H H 1 8.753 0.02 . 1 . . . A 52 LEU H . 25088 1 609 . 1 1 51 51 LEU HA H 1 4.292 0.02 . 1 . . . A 52 LEU HA . 25088 1 610 . 1 1 51 51 LEU HB2 H 1 1.442 0.02 . 1 . . . A 52 LEU HB2 . 25088 1 611 . 1 1 51 51 LEU HB3 H 1 1.442 0.02 . 1 . . . A 52 LEU HB3 . 25088 1 612 . 1 1 51 51 LEU HG H 1 1.05 0.02 . 1 . . . A 52 LEU HG . 25088 1 613 . 1 1 51 51 LEU HD11 H 1 0.672 0.02 . 1 . . . A 52 LEU HD11 . 25088 1 614 . 1 1 51 51 LEU HD12 H 1 0.672 0.02 . 1 . . . A 52 LEU HD12 . 25088 1 615 . 1 1 51 51 LEU HD13 H 1 0.672 0.02 . 1 . . . A 52 LEU HD13 . 25088 1 616 . 1 1 51 51 LEU HD21 H 1 0.548 0.02 . 1 . . . A 52 LEU HD21 . 25088 1 617 . 1 1 51 51 LEU HD22 H 1 0.548 0.02 . 1 . . . A 52 LEU HD22 . 25088 1 618 . 1 1 51 51 LEU HD23 H 1 0.548 0.02 . 1 . . . A 52 LEU HD23 . 25088 1 619 . 1 1 51 51 LEU C C 13 172.838 0.3 . 1 . . . A 52 LEU C . 25088 1 620 . 1 1 51 51 LEU CA C 13 51.271 0.3 . 1 . . . A 52 LEU CA . 25088 1 621 . 1 1 51 51 LEU CB C 13 39.708 0.3 . 1 . . . A 52 LEU CB . 25088 1 622 . 1 1 51 51 LEU CG C 13 24.447 0.3 . 1 . . . A 52 LEU CG . 25088 1 623 . 1 1 51 51 LEU CD1 C 13 23.267 0.3 . 1 . . . A 52 LEU CD1 . 25088 1 624 . 1 1 51 51 LEU CD2 C 13 21.633 0.3 . 1 . . . A 52 LEU CD2 . 25088 1 625 . 1 1 51 51 LEU N N 15 128.708 0.3 . 1 . . . A 52 LEU N . 25088 1 626 . 1 1 52 52 ASP H H 1 8.604 0.02 . 1 . . . A 53 ASP H . 25088 1 627 . 1 1 52 52 ASP HA H 1 4.566 0.02 . 1 . . . A 53 ASP HA . 25088 1 628 . 1 1 52 52 ASP HB2 H 1 2.435 0.02 . 2 . . . A 53 ASP HB2 . 25088 1 629 . 1 1 52 52 ASP HB3 H 1 2.669 0.02 . 2 . . . A 53 ASP HB3 . 25088 1 630 . 1 1 52 52 ASP C C 13 174.438 0.3 . 1 . . . A 53 ASP C . 25088 1 631 . 1 1 52 52 ASP CA C 13 50.65 0.3 . 1 . . . A 53 ASP CA . 25088 1 632 . 1 1 52 52 ASP CB C 13 39.888 0.3 . 1 . . . A 53 ASP CB . 25088 1 633 . 1 1 52 52 ASP N N 15 123.38 0.3 . 1 . . . A 53 ASP N . 25088 1 634 . 1 1 53 53 SER H H 1 8.562 0.02 . 1 . . . A 54 SER H . 25088 1 635 . 1 1 53 53 SER HA H 1 4.097 0.02 . 1 . . . A 54 SER HA . 25088 1 636 . 1 1 53 53 SER HB2 H 1 3.632 0.02 . 2 . . . A 54 SER HB2 . 25088 1 637 . 1 1 53 53 SER HB3 H 1 3.984 0.02 . 2 . . . A 54 SER HB3 . 25088 1 638 . 1 1 53 53 SER C C 13 171.835 0.3 . 1 . . . A 54 SER C . 25088 1 639 . 1 1 53 53 SER CA C 13 57.862 0.3 . 1 . . . A 54 SER CA . 25088 1 640 . 1 1 53 53 SER CB C 13 60.725 0.3 . 1 . . . A 54 SER CB . 25088 1 641 . 1 1 53 53 SER N N 15 120.108 0.3 . 1 . . . A 54 SER N . 25088 1 642 . 1 1 54 54 ASN H H 1 8.557 0.02 . 1 . . . A 55 ASN H . 25088 1 643 . 1 1 54 54 ASN HA H 1 4.57 0.02 . 1 . . . A 55 ASN HA . 25088 1 644 . 1 1 54 54 ASN HB2 H 1 2.665 0.02 . 1 . . . A 55 ASN HB2 . 25088 1 645 . 1 1 54 54 ASN HB3 H 1 2.722 0.02 . 2 . . . A 55 ASN HB3 . 25088 1 646 . 1 1 54 54 ASN HD21 H 1 6.845 0.02 . 1 . . . A 55 ASN HD21 . 25088 1 647 . 1 1 54 54 ASN HD22 H 1 7.814 0.02 . 1 . . . A 55 ASN HD22 . 25088 1 648 . 1 1 54 54 ASN C C 13 173.335 0.3 . 1 . . . A 55 ASN C . 25088 1 649 . 1 1 54 54 ASN CA C 13 51.62 0.3 . 1 . . . A 55 ASN CA . 25088 1 650 . 1 1 54 54 ASN CB C 13 36.421 0.3 . 1 . . . A 55 ASN CB . 25088 1 651 . 1 1 54 54 ASN N N 15 118.035 0.3 . 1 . . . A 55 ASN N . 25088 1 652 . 1 1 54 54 ASN ND2 N 15 114.781 0.3 . 1 . . . A 55 ASN ND2 . 25088 1 653 . 1 1 55 55 ARG H H 1 7.473 0.02 . 1 . . . A 56 ARG H . 25088 1 654 . 1 1 55 55 ARG HA H 1 4.249 0.02 . 1 . . . A 56 ARG HA . 25088 1 655 . 1 1 55 55 ARG HB2 H 1 1.707 0.02 . 2 . . . A 56 ARG HB2 . 25088 1 656 . 1 1 55 55 ARG HB3 H 1 1.861 0.02 . 2 . . . A 56 ARG HB3 . 25088 1 657 . 1 1 55 55 ARG HG2 H 1 1.479 0.02 . 2 . . . A 56 ARG HG2 . 25088 1 658 . 1 1 55 55 ARG HG3 H 1 1.583 0.02 . 2 . . . A 56 ARG HG3 . 25088 1 659 . 1 1 55 55 ARG HD2 H 1 3.142 0.02 . 1 . . . A 56 ARG HD2 . 25088 1 660 . 1 1 55 55 ARG HD3 H 1 3.142 0.02 . 1 . . . A 56 ARG HD3 . 25088 1 661 . 1 1 55 55 ARG HE H 1 7.18 0.02 . 1 . . . A 56 ARG HE . 25088 1 662 . 1 1 55 55 ARG C C 13 173.619 0.3 . 1 . . . A 56 ARG C . 25088 1 663 . 1 1 55 55 ARG CA C 13 54.295 0.3 . 1 . . . A 56 ARG CA . 25088 1 664 . 1 1 55 55 ARG CB C 13 29.502 0.3 . 1 . . . A 56 ARG CB . 25088 1 665 . 1 1 55 55 ARG CG C 13 24.875 0.3 . 1 . . . A 56 ARG CG . 25088 1 666 . 1 1 55 55 ARG CD C 13 41.083 0.3 . 1 . . . A 56 ARG CD . 25088 1 667 . 1 1 55 55 ARG N N 15 118.952 0.3 . 1 . . . A 56 ARG N . 25088 1 668 . 1 1 56 56 THR H H 1 7.98 0.02 . 1 . . . A 57 THR H . 25088 1 669 . 1 1 56 56 THR HA H 1 4.694 0.02 . 1 . . . A 57 THR HA . 25088 1 670 . 1 1 56 56 THR HB H 1 3.862 0.02 . 1 . . . A 57 THR HB . 25088 1 671 . 1 1 56 56 THR HG21 H 1 0.971 0.02 . 1 . . . A 57 THR HG21 . 25088 1 672 . 1 1 56 56 THR HG22 H 1 0.971 0.02 . 1 . . . A 57 THR HG22 . 25088 1 673 . 1 1 56 56 THR HG23 H 1 0.971 0.02 . 1 . . . A 57 THR HG23 . 25088 1 674 . 1 1 56 56 THR C C 13 171.238 0.3 . 1 . . . A 57 THR C . 25088 1 675 . 1 1 56 56 THR CA C 13 59.453 0.3 . 1 . . . A 57 THR CA . 25088 1 676 . 1 1 56 56 THR CB C 13 67.038 0.3 . 1 . . . A 57 THR CB . 25088 1 677 . 1 1 56 56 THR CG2 C 13 19.269 0.3 . 1 . . . A 57 THR CG2 . 25088 1 678 . 1 1 56 56 THR N N 15 115.484 0.3 . 1 . . . A 57 THR N . 25088 1 679 . 1 1 57 57 GLN H H 1 8.158 0.02 . 1 . . . A 58 GLN H . 25088 1 680 . 1 1 57 57 GLN HA H 1 4.327 0.02 . 1 . . . A 58 GLN HA . 25088 1 681 . 1 1 57 57 GLN HB2 H 1 1.898 0.02 . 2 . . . A 58 GLN HB2 . 25088 1 682 . 1 1 57 57 GLN HB3 H 1 2.051 0.02 . 2 . . . A 58 GLN HB3 . 25088 1 683 . 1 1 57 57 GLN HG2 H 1 2.266 0.02 . 1 . . . A 58 GLN HG2 . 25088 1 684 . 1 1 57 57 GLN HG3 H 1 2.266 0.02 . 1 . . . A 58 GLN HG3 . 25088 1 685 . 1 1 57 57 GLN HE21 H 1 6.674 0.02 . 1 . . . A 58 GLN HE21 . 25088 1 686 . 1 1 57 57 GLN HE22 H 1 7.305 0.02 . 1 . . . A 58 GLN HE22 . 25088 1 687 . 1 1 57 57 GLN C C 13 173.576 0.3 . 1 . . . A 58 GLN C . 25088 1 688 . 1 1 57 57 GLN CA C 13 54.335 0.3 . 1 . . . A 58 GLN CA . 25088 1 689 . 1 1 57 57 GLN CB C 13 28.205 0.3 . 1 . . . A 58 GLN CB . 25088 1 690 . 1 1 57 57 GLN CG C 13 32.011 0.3 . 1 . . . A 58 GLN CG . 25088 1 691 . 1 1 57 57 GLN N N 15 122.413 0.3 . 1 . . . A 58 GLN N . 25088 1 692 . 1 1 57 57 GLN NE2 N 15 111.592 0.3 . 1 . . . A 58 GLN NE2 . 25088 1 693 . 1 1 58 58 SER H H 1 8.397 0.02 . 1 . . . A 59 SER H . 25088 1 694 . 1 1 58 58 SER HA H 1 4.94 0.02 . 1 . . . A 59 SER HA . 25088 1 695 . 1 1 58 58 SER HB2 H 1 3.734 0.02 . 2 . . . A 59 SER HB2 . 25088 1 696 . 1 1 58 58 SER HB3 H 1 3.914 0.02 . 2 . . . A 59 SER HB3 . 25088 1 697 . 1 1 58 58 SER C C 13 172.561 0.3 . 1 . . . A 59 SER C . 25088 1 698 . 1 1 58 58 SER CA C 13 54.247 0.3 . 1 . . . A 59 SER CA . 25088 1 699 . 1 1 58 58 SER CB C 13 63.579 0.3 . 1 . . . A 59 SER CB . 25088 1 700 . 1 1 58 58 SER N N 15 115.282 0.3 . 1 . . . A 59 SER N . 25088 1 701 . 1 1 59 59 LEU H H 1 8.295 0.02 . 1 . . . A 60 LEU H . 25088 1 702 . 1 1 59 59 LEU HA H 1 3.73 0.02 . 1 . . . A 60 LEU HA . 25088 1 703 . 1 1 59 59 LEU HB2 H 1 1.717 0.02 . 1 . . . A 60 LEU HB2 . 25088 1 704 . 1 1 59 59 LEU HB3 H 1 1.717 0.02 . 1 . . . A 60 LEU HB3 . 25088 1 705 . 1 1 59 59 LEU HG H 1 1.239 0.02 . 1 . . . A 60 LEU HG . 25088 1 706 . 1 1 59 59 LEU HD11 H 1 0.683 0.02 . 1 . . . A 60 LEU HD11 . 25088 1 707 . 1 1 59 59 LEU HD12 H 1 0.683 0.02 . 1 . . . A 60 LEU HD12 . 25088 1 708 . 1 1 59 59 LEU HD13 H 1 0.683 0.02 . 1 . . . A 60 LEU HD13 . 25088 1 709 . 1 1 59 59 LEU HD21 H 1 0.479 0.02 . 1 . . . A 60 LEU HD21 . 25088 1 710 . 1 1 59 59 LEU HD22 H 1 0.479 0.02 . 1 . . . A 60 LEU HD22 . 25088 1 711 . 1 1 59 59 LEU HD23 H 1 0.479 0.02 . 1 . . . A 60 LEU HD23 . 25088 1 712 . 1 1 59 59 LEU C C 13 177.271 0.3 . 1 . . . A 60 LEU C . 25088 1 713 . 1 1 59 59 LEU CA C 13 55.574 0.3 . 1 . . . A 60 LEU CA . 25088 1 714 . 1 1 59 59 LEU CB C 13 37.284 0.3 . 1 . . . A 60 LEU CB . 25088 1 715 . 1 1 59 59 LEU CG C 13 24.366 0.3 . 1 . . . A 60 LEU CG . 25088 1 716 . 1 1 59 59 LEU CD1 C 13 23.448 0.3 . 1 . . . A 60 LEU CD1 . 25088 1 717 . 1 1 59 59 LEU CD2 C 13 19.983 0.3 . 1 . . . A 60 LEU CD2 . 25088 1 718 . 1 1 59 59 LEU N N 15 119.021 0.3 . 1 . . . A 60 LEU N . 25088 1 719 . 1 1 60 60 LYS H H 1 8.39 0.02 . 1 . . . A 61 LYS H . 25088 1 720 . 1 1 60 60 LYS HA H 1 3.911 0.02 . 1 . . . A 61 LYS HA . 25088 1 721 . 1 1 60 60 LYS HB2 H 1 1.468 0.02 . 1 . . . A 61 LYS HB2 . 25088 1 722 . 1 1 60 60 LYS HB3 H 1 1.468 0.02 . 1 . . . A 61 LYS HB3 . 25088 1 723 . 1 1 60 60 LYS HG2 H 1 1.22 0.02 . 1 . . . A 61 LYS HG2 . 25088 1 724 . 1 1 60 60 LYS HG3 H 1 1.22 0.02 . 1 . . . A 61 LYS HG3 . 25088 1 725 . 1 1 60 60 LYS HD2 H 1 1.573 0.02 . 2 . . . A 61 LYS HD2 . 25088 1 726 . 1 1 60 60 LYS HD3 H 1 1.712 0.02 . 2 . . . A 61 LYS HD3 . 25088 1 727 . 1 1 60 60 LYS HE2 H 1 2.77 0.02 . 1 . . . A 61 LYS HE2 . 25088 1 728 . 1 1 60 60 LYS HE3 H 1 2.77 0.02 . 1 . . . A 61 LYS HE3 . 25088 1 729 . 1 1 60 60 LYS C C 13 176.558 0.3 . 1 . . . A 61 LYS C . 25088 1 730 . 1 1 60 60 LYS CA C 13 56.699 0.3 . 1 . . . A 61 LYS CA . 25088 1 731 . 1 1 60 60 LYS CB C 13 30.281 0.3 . 1 . . . A 61 LYS CB . 25088 1 732 . 1 1 60 60 LYS CG C 13 21.919 0.3 . 1 . . . A 61 LYS CG . 25088 1 733 . 1 1 60 60 LYS CD C 13 27.22 0.3 . 1 . . . A 61 LYS CD . 25088 1 734 . 1 1 60 60 LYS CE C 13 39.554 0.3 . 1 . . . A 61 LYS CE . 25088 1 735 . 1 1 60 60 LYS N N 15 120.43 0.3 . 1 . . . A 61 LYS N . 25088 1 736 . 1 1 61 61 GLU H H 1 7.506 0.02 . 1 . . . A 62 GLU H . 25088 1 737 . 1 1 61 61 GLU HA H 1 3.883 0.02 . 1 . . . A 62 GLU HA . 25088 1 738 . 1 1 61 61 GLU HB2 H 1 2.05 0.02 . 1 . . . A 62 GLU HB2 . 25088 1 739 . 1 1 61 61 GLU HB3 H 1 2.05 0.02 . 1 . . . A 62 GLU HB3 . 25088 1 740 . 1 1 61 61 GLU HG2 H 1 2.186 0.02 . 2 . . . A 62 GLU HG2 . 25088 1 741 . 1 1 61 61 GLU HG3 H 1 2.227 0.02 . 2 . . . A 62 GLU HG3 . 25088 1 742 . 1 1 61 61 GLU C C 13 175.594 0.3 . 1 . . . A 62 GLU C . 25088 1 743 . 1 1 61 61 GLU CA C 13 55.768 0.3 . 1 . . . A 62 GLU CA . 25088 1 744 . 1 1 61 61 GLU CB C 13 27.686 0.3 . 1 . . . A 62 GLU CB . 25088 1 745 . 1 1 61 61 GLU CG C 13 35.069 0.3 . 1 . . . A 62 GLU CG . 25088 1 746 . 1 1 61 61 GLU N N 15 116.899 0.3 . 1 . . . A 62 GLU N . 25088 1 747 . 1 1 62 62 LEU H H 1 7.542 0.02 . 1 . . . A 63 LEU H . 25088 1 748 . 1 1 62 62 LEU HA H 1 4.037 0.02 . 1 . . . A 63 LEU HA . 25088 1 749 . 1 1 62 62 LEU HB2 H 1 1.548 0.02 . 1 . . . A 63 LEU HB2 . 25088 1 750 . 1 1 62 62 LEU HB3 H 1 1.548 0.02 . 1 . . . A 63 LEU HB3 . 25088 1 751 . 1 1 62 62 LEU HG H 1 1.203 0.02 . 1 . . . A 63 LEU HG . 25088 1 752 . 1 1 62 62 LEU HD11 H 1 0.596 0.02 . 1 . . . A 63 LEU HD11 . 25088 1 753 . 1 1 62 62 LEU HD12 H 1 0.596 0.02 . 1 . . . A 63 LEU HD12 . 25088 1 754 . 1 1 62 62 LEU HD13 H 1 0.596 0.02 . 1 . . . A 63 LEU HD13 . 25088 1 755 . 1 1 62 62 LEU HD21 H 1 0.596 0.02 . 1 . . . A 63 LEU HD21 . 25088 1 756 . 1 1 62 62 LEU HD22 H 1 0.596 0.02 . 1 . . . A 63 LEU HD22 . 25088 1 757 . 1 1 62 62 LEU HD23 H 1 0.596 0.02 . 1 . . . A 63 LEU HD23 . 25088 1 758 . 1 1 62 62 LEU C C 13 174.957 0.3 . 1 . . . A 63 LEU C . 25088 1 759 . 1 1 62 62 LEU CA C 13 53.275 0.3 . 1 . . . A 63 LEU CA . 25088 1 760 . 1 1 62 62 LEU CB C 13 39.622 0.3 . 1 . . . A 63 LEU CB . 25088 1 761 . 1 1 62 62 LEU CG C 13 24.56 0.3 . 1 . . . A 63 LEU CG . 25088 1 762 . 1 1 62 62 LEU CD1 C 13 23.287 0.3 . 1 . . . A 63 LEU CD1 . 25088 1 763 . 1 1 62 62 LEU CD2 C 13 20.533 0.3 . 1 . . . A 63 LEU CD2 . 25088 1 764 . 1 1 62 62 LEU N N 15 116.728 0.3 . 1 . . . A 63 LEU N . 25088 1 765 . 1 1 63 63 GLY H H 1 7.331 0.02 . 1 . . . A 64 GLY H . 25088 1 766 . 1 1 63 63 GLY HA2 H 1 3.655 0.02 . 2 . . . A 64 GLY HA2 . 25088 1 767 . 1 1 63 63 GLY HA3 H 1 3.823 0.02 . 2 . . . A 64 GLY HA3 . 25088 1 768 . 1 1 63 63 GLY C C 13 172.263 0.3 . 1 . . . A 64 GLY C . 25088 1 769 . 1 1 63 63 GLY CA C 13 43.926 0.3 . 1 . . . A 64 GLY CA . 25088 1 770 . 1 1 63 63 GLY N N 15 105.49 0.3 . 1 . . . A 64 GLY N . 25088 1 771 . 1 1 64 64 LEU H H 1 7.763 0.02 . 1 . . . A 65 LEU H . 25088 1 772 . 1 1 64 64 LEU HA H 1 4.033 0.02 . 1 . . . A 65 LEU HA . 25088 1 773 . 1 1 64 64 LEU HB2 H 1 1.243 0.02 . 1 . . . A 65 LEU HB2 . 25088 1 774 . 1 1 64 64 LEU HB3 H 1 1.243 0.02 . 1 . . . A 65 LEU HB3 . 25088 1 775 . 1 1 64 64 LEU HG H 1 0.467 0.02 . 1 . . . A 65 LEU HG . 25088 1 776 . 1 1 64 64 LEU HD11 H 1 0.137 0.02 . 1 . . . A 65 LEU HD11 . 25088 1 777 . 1 1 64 64 LEU HD12 H 1 0.137 0.02 . 1 . . . A 65 LEU HD12 . 25088 1 778 . 1 1 64 64 LEU HD13 H 1 0.137 0.02 . 1 . . . A 65 LEU HD13 . 25088 1 779 . 1 1 64 64 LEU HD21 H 1 0.137 0.02 . 1 . . . A 65 LEU HD21 . 25088 1 780 . 1 1 64 64 LEU HD22 H 1 0.137 0.02 . 1 . . . A 65 LEU HD22 . 25088 1 781 . 1 1 64 64 LEU HD23 H 1 0.137 0.02 . 1 . . . A 65 LEU HD23 . 25088 1 782 . 1 1 64 64 LEU C C 13 175.966 0.3 . 1 . . . A 65 LEU C . 25088 1 783 . 1 1 64 64 LEU CA C 13 53.182 0.3 . 1 . . . A 65 LEU CA . 25088 1 784 . 1 1 64 64 LEU CB C 13 39.795 0.3 . 1 . . . A 65 LEU CB . 25088 1 785 . 1 1 64 64 LEU CG C 13 24.672 0.3 . 1 . . . A 65 LEU CG . 25088 1 786 . 1 1 64 64 LEU CD1 C 13 23.448 0.3 . 1 . . . A 65 LEU CD1 . 25088 1 787 . 1 1 64 64 LEU CD2 C 13 20.798 0.3 . 1 . . . A 65 LEU CD2 . 25088 1 788 . 1 1 64 64 LEU N N 15 118.61 0.3 . 1 . . . A 65 LEU N . 25088 1 789 . 1 1 65 65 LYS H H 1 9.141 0.02 . 1 . . . A 66 LYS H . 25088 1 790 . 1 1 65 65 LYS HA H 1 4.32 0.02 . 1 . . . A 66 LYS HA . 25088 1 791 . 1 1 65 65 LYS HB2 H 1 1.906 0.02 . 1 . . . A 66 LYS HB2 . 25088 1 792 . 1 1 65 65 LYS HB3 H 1 1.906 0.02 . 1 . . . A 66 LYS HB3 . 25088 1 793 . 1 1 65 65 LYS HG2 H 1 1.493 0.02 . 1 . . . A 66 LYS HG2 . 25088 1 794 . 1 1 65 65 LYS HG3 H 1 1.493 0.02 . 1 . . . A 66 LYS HG3 . 25088 1 795 . 1 1 65 65 LYS HD2 H 1 1.627 0.02 . 1 . . . A 66 LYS HD2 . 25088 1 796 . 1 1 65 65 LYS HD3 H 1 1.627 0.02 . 1 . . . A 66 LYS HD3 . 25088 1 797 . 1 1 65 65 LYS HE2 H 1 2.976 0.02 . 1 . . . A 66 LYS HE2 . 25088 1 798 . 1 1 65 65 LYS HE3 H 1 2.976 0.02 . 1 . . . A 66 LYS HE3 . 25088 1 799 . 1 1 65 65 LYS C C 13 174.511 0.3 . 1 . . . A 66 LYS C . 25088 1 800 . 1 1 65 65 LYS CA C 13 52.86 0.3 . 1 . . . A 66 LYS CA . 25088 1 801 . 1 1 65 65 LYS CB C 13 31.405 0.3 . 1 . . . A 66 LYS CB . 25088 1 802 . 1 1 65 65 LYS CG C 13 22.735 0.3 . 1 . . . A 66 LYS CG . 25088 1 803 . 1 1 65 65 LYS CD C 13 26.506 0.3 . 1 . . . A 66 LYS CD . 25088 1 804 . 1 1 65 65 LYS CE C 13 39.859 0.3 . 1 . . . A 66 LYS CE . 25088 1 805 . 1 1 65 65 LYS N N 15 122.013 0.3 . 1 . . . A 66 LYS N . 25088 1 806 . 1 1 66 66 THR H H 1 8.122 0.02 . 1 . . . A 67 THR H . 25088 1 807 . 1 1 66 66 THR HA H 1 4.692 0.02 . 1 . . . A 67 THR HA . 25088 1 808 . 1 1 66 66 THR HB H 1 4.003 0.02 . 1 . . . A 67 THR HB . 25088 1 809 . 1 1 66 66 THR HG21 H 1 2.685 0.02 . 1 . . . A 67 THR HG21 . 25088 1 810 . 1 1 66 66 THR HG22 H 1 2.685 0.02 . 1 . . . A 67 THR HG22 . 25088 1 811 . 1 1 66 66 THR HG23 H 1 2.685 0.02 . 1 . . . A 67 THR HG23 . 25088 1 812 . 1 1 66 66 THR C C 13 171.6 0.3 . 1 . . . A 67 THR C . 25088 1 813 . 1 1 66 66 THR CA C 13 62.892 0.3 . 1 . . . A 67 THR CA . 25088 1 814 . 1 1 66 66 THR CB C 13 66.569 0.3 . 1 . . . A 67 THR CB . 25088 1 815 . 1 1 66 66 THR N N 15 113.247 0.3 . 1 . . . A 67 THR N . 25088 1 816 . 1 1 67 67 ASP H H 1 7.467 0.02 . 1 . . . A 68 ASP H . 25088 1 817 . 1 1 67 67 ASP HA H 1 4.238 0.02 . 1 . . . A 68 ASP HA . 25088 1 818 . 1 1 67 67 ASP HB2 H 1 2.858 0.02 . 1 . . . A 68 ASP HB2 . 25088 1 819 . 1 1 67 67 ASP HB3 H 1 2.858 0.02 . 1 . . . A 68 ASP HB3 . 25088 1 820 . 1 1 67 67 ASP C C 13 172.362 0.3 . 1 . . . A 68 ASP C . 25088 1 821 . 1 1 67 67 ASP CA C 13 54.062 0.3 . 1 . . . A 68 ASP CA . 25088 1 822 . 1 1 67 67 ASP CB C 13 30.484 0.3 . 1 . . . A 68 ASP CB . 25088 1 823 . 1 1 67 67 ASP N N 15 118.696 0.3 . 1 . . . A 68 ASP N . 25088 1 824 . 1 1 68 68 ASP H H 1 8.152 0.02 . 1 . . . A 69 ASP H . 25088 1 825 . 1 1 68 68 ASP HA H 1 4.983 0.02 . 1 . . . A 69 ASP HA . 25088 1 826 . 1 1 68 68 ASP HB2 H 1 2.442 0.02 . 2 . . . A 69 ASP HB2 . 25088 1 827 . 1 1 68 68 ASP HB3 H 1 2.519 0.02 . 2 . . . A 69 ASP HB3 . 25088 1 828 . 1 1 68 68 ASP C C 13 172.151 0.3 . 1 . . . A 69 ASP C . 25088 1 829 . 1 1 68 68 ASP CA C 13 50.883 0.3 . 1 . . . A 69 ASP CA . 25088 1 830 . 1 1 68 68 ASP CB C 13 43.254 0.3 . 1 . . . A 69 ASP CB . 25088 1 831 . 1 1 68 68 ASP N N 15 122.57 0.3 . 1 . . . A 69 ASP N . 25088 1 832 . 1 1 69 69 LEU H H 1 8.948 0.02 . 1 . . . A 70 LEU H . 25088 1 833 . 1 1 69 69 LEU HA H 1 5.298 0.02 . 1 . . . A 70 LEU HA . 25088 1 834 . 1 1 69 69 LEU HB2 H 1 1.352 0.02 . 2 . . . A 70 LEU HB2 . 25088 1 835 . 1 1 69 69 LEU HB3 H 1 1.556 0.02 . 2 . . . A 70 LEU HB3 . 25088 1 836 . 1 1 69 69 LEU HG H 1 1.267 0.02 . 1 . . . A 70 LEU HG . 25088 1 837 . 1 1 69 69 LEU HD11 H 1 0.71 0.02 . 1 . . . A 70 LEU HD11 . 25088 1 838 . 1 1 69 69 LEU HD12 H 1 0.71 0.02 . 1 . . . A 70 LEU HD12 . 25088 1 839 . 1 1 69 69 LEU HD13 H 1 0.71 0.02 . 1 . . . A 70 LEU HD13 . 25088 1 840 . 1 1 69 69 LEU HD21 H 1 0.585 0.02 . 1 . . . A 70 LEU HD21 . 25088 1 841 . 1 1 69 69 LEU HD22 H 1 0.585 0.02 . 1 . . . A 70 LEU HD22 . 25088 1 842 . 1 1 69 69 LEU HD23 H 1 0.585 0.02 . 1 . . . A 70 LEU HD23 . 25088 1 843 . 1 1 69 69 LEU C C 13 173.191 0.3 . 1 . . . A 70 LEU C . 25088 1 844 . 1 1 69 69 LEU CA C 13 51.813 0.3 . 1 . . . A 70 LEU CA . 25088 1 845 . 1 1 69 69 LEU CB C 13 44.205 0.3 . 1 . . . A 70 LEU CB . 25088 1 846 . 1 1 69 69 LEU CG C 13 24.972 0.3 . 1 . . . A 70 LEU CG . 25088 1 847 . 1 1 69 69 LEU CD1 C 13 23.418 0.3 . 1 . . . A 70 LEU CD1 . 25088 1 848 . 1 1 69 69 LEU CD2 C 13 21.717 0.3 . 1 . . . A 70 LEU CD2 . 25088 1 849 . 1 1 69 69 LEU N N 15 122.414 0.3 . 1 . . . A 70 LEU N . 25088 1 850 . 1 1 70 70 LEU H H 1 8.612 0.02 . 1 . . . A 71 LEU H . 25088 1 851 . 1 1 70 70 LEU HA H 1 5.074 0.02 . 1 . . . A 71 LEU HA . 25088 1 852 . 1 1 70 70 LEU HB2 H 1 1.427 0.02 . 2 . . . A 71 LEU HB2 . 25088 1 853 . 1 1 70 70 LEU HB3 H 1 1.538 0.02 . 2 . . . A 71 LEU HB3 . 25088 1 854 . 1 1 70 70 LEU HG H 1 1.32 0.02 . 1 . . . A 71 LEU HG . 25088 1 855 . 1 1 70 70 LEU HD11 H 1 0.713 0.02 . 1 . . . A 71 LEU HD11 . 25088 1 856 . 1 1 70 70 LEU HD12 H 1 0.713 0.02 . 1 . . . A 71 LEU HD12 . 25088 1 857 . 1 1 70 70 LEU HD13 H 1 0.713 0.02 . 1 . . . A 71 LEU HD13 . 25088 1 858 . 1 1 70 70 LEU HD21 H 1 0.591 0.02 . 1 . . . A 71 LEU HD21 . 25088 1 859 . 1 1 70 70 LEU HD22 H 1 0.591 0.02 . 1 . . . A 71 LEU HD22 . 25088 1 860 . 1 1 70 70 LEU HD23 H 1 0.591 0.02 . 1 . . . A 71 LEU HD23 . 25088 1 861 . 1 1 70 70 LEU C C 13 172.492 0.3 . 1 . . . A 71 LEU C . 25088 1 862 . 1 1 70 70 LEU CA C 13 51.077 0.3 . 1 . . . A 71 LEU CA . 25088 1 863 . 1 1 70 70 LEU CB C 13 43.05 0.3 . 1 . . . A 71 LEU CB . 25088 1 864 . 1 1 70 70 LEU CG C 13 25.895 0.3 . 1 . . . A 71 LEU CG . 25088 1 865 . 1 1 70 70 LEU CD1 C 13 24.162 0.3 . 1 . . . A 71 LEU CD1 . 25088 1 866 . 1 1 70 70 LEU CD2 C 13 22.327 0.3 . 1 . . . A 71 LEU CD2 . 25088 1 867 . 1 1 70 70 LEU N N 15 123.165 0.3 . 1 . . . A 71 LEU N . 25088 1 868 . 1 1 71 71 LEU H H 1 8.583 0.02 . 1 . . . A 72 LEU H . 25088 1 869 . 1 1 71 71 LEU HA H 1 5.354 0.02 . 1 . . . A 72 LEU HA . 25088 1 870 . 1 1 71 71 LEU HB2 H 1 1.503 0.02 . 1 . . . A 72 LEU HB2 . 25088 1 871 . 1 1 71 71 LEU HB3 H 1 1.503 0.02 . 1 . . . A 72 LEU HB3 . 25088 1 872 . 1 1 71 71 LEU HG H 1 1.353 0.02 . 1 . . . A 72 LEU HG . 25088 1 873 . 1 1 71 71 LEU HD11 H 1 0.691 0.02 . 1 . . . A 72 LEU HD11 . 25088 1 874 . 1 1 71 71 LEU HD12 H 1 0.691 0.02 . 1 . . . A 72 LEU HD12 . 25088 1 875 . 1 1 71 71 LEU HD13 H 1 0.691 0.02 . 1 . . . A 72 LEU HD13 . 25088 1 876 . 1 1 71 71 LEU HD21 H 1 0.691 0.02 . 1 . . . A 72 LEU HD21 . 25088 1 877 . 1 1 71 71 LEU HD22 H 1 0.691 0.02 . 1 . . . A 72 LEU HD22 . 25088 1 878 . 1 1 71 71 LEU HD23 H 1 0.691 0.02 . 1 . . . A 72 LEU HD23 . 25088 1 879 . 1 1 71 71 LEU C C 13 173.773 0.3 . 1 . . . A 72 LEU C . 25088 1 880 . 1 1 71 71 LEU CA C 13 50.883 0.3 . 1 . . . A 72 LEU CA . 25088 1 881 . 1 1 71 71 LEU CB C 13 43.202 0.3 . 1 . . . A 72 LEU CB . 25088 1 882 . 1 1 71 71 LEU CG C 13 25.181 0.3 . 1 . . . A 72 LEU CG . 25088 1 883 . 1 1 71 71 LEU CD1 C 13 22.429 0.3 . 1 . . . A 72 LEU CD1 . 25088 1 884 . 1 1 71 71 LEU CD2 C 13 22.429 0.3 . 1 . . . A 72 LEU CD2 . 25088 1 885 . 1 1 71 71 LEU N N 15 120.371 0.3 . 1 . . . A 72 LEU N . 25088 1 886 . 1 1 72 72 ILE H H 1 8.878 0.02 . 1 . . . A 73 ILE H . 25088 1 887 . 1 1 72 72 ILE HA H 1 4.741 0.02 . 1 . . . A 73 ILE HA . 25088 1 888 . 1 1 72 72 ILE HB H 1 1.467 0.02 . 1 . . . A 73 ILE HB . 25088 1 889 . 1 1 72 72 ILE HG12 H 1 0.758 0.02 . 1 . . . A 73 ILE HG12 . 25088 1 890 . 1 1 72 72 ILE HG13 H 1 0.758 0.02 . 1 . . . A 73 ILE HG13 . 25088 1 891 . 1 1 72 72 ILE HG21 H 1 0.651 0.02 . 1 . . . A 73 ILE HG21 . 25088 1 892 . 1 1 72 72 ILE HG22 H 1 0.651 0.02 . 1 . . . A 73 ILE HG22 . 25088 1 893 . 1 1 72 72 ILE HG23 H 1 0.651 0.02 . 1 . . . A 73 ILE HG23 . 25088 1 894 . 1 1 72 72 ILE HD11 H 1 0.513 0.02 . 1 . . . A 73 ILE HD11 . 25088 1 895 . 1 1 72 72 ILE HD12 H 1 0.513 0.02 . 1 . . . A 73 ILE HD12 . 25088 1 896 . 1 1 72 72 ILE HD13 H 1 0.513 0.02 . 1 . . . A 73 ILE HD13 . 25088 1 897 . 1 1 72 72 ILE C C 13 172.505 0.3 . 1 . . . A 73 ILE C . 25088 1 898 . 1 1 72 72 ILE CA C 13 58.908 0.3 . 1 . . . A 73 ILE CA . 25088 1 899 . 1 1 72 72 ILE CB C 13 37.719 0.3 . 1 . . . A 73 ILE CB . 25088 1 900 . 1 1 72 72 ILE CG1 C 13 24.977 0.3 . 1 . . . A 73 ILE CG1 . 25088 1 901 . 1 1 72 72 ILE CG2 C 13 14.58 0.3 . 1 . . . A 73 ILE CG2 . 25088 1 902 . 1 1 72 72 ILE CD1 C 13 12.338 0.3 . 1 . . . A 73 ILE CD1 . 25088 1 903 . 1 1 72 72 ILE N N 15 121.847 0.3 . 1 . . . A 73 ILE N . 25088 1 904 . 1 1 73 73 ARG H H 1 8.668 0.02 . 1 . . . A 74 ARG H . 25088 1 905 . 1 1 73 73 ARG HA H 1 4.611 0.02 . 1 . . . A 74 ARG HA . 25088 1 906 . 1 1 73 73 ARG HB2 H 1 1.485 0.02 . 2 . . . A 74 ARG HB2 . 25088 1 907 . 1 1 73 73 ARG HB3 H 1 1.823 0.02 . 2 . . . A 74 ARG HB3 . 25088 1 908 . 1 1 73 73 ARG HG2 H 1 1.218 0.02 . 2 . . . A 74 ARG HG2 . 25088 1 909 . 1 1 73 73 ARG HG3 H 1 1.373 0.02 . 2 . . . A 74 ARG HG3 . 25088 1 910 . 1 1 73 73 ARG HD2 H 1 2.067 0.02 . 2 . . . A 74 ARG HD2 . 25088 1 911 . 1 1 73 73 ARG HD3 H 1 2.231 0.02 . 2 . . . A 74 ARG HD3 . 25088 1 912 . 1 1 73 73 ARG HE H 1 7.333 0.02 . 1 . . . A 74 ARG HE . 25088 1 913 . 1 1 73 73 ARG C C 13 173.314 0.3 . 1 . . . A 74 ARG C . 25088 1 914 . 1 1 73 73 ARG CA C 13 51.697 0.3 . 1 . . . A 74 ARG CA . 25088 1 915 . 1 1 73 73 ARG CB C 13 32.357 0.3 . 1 . . . A 74 ARG CB . 25088 1 916 . 1 1 73 73 ARG CG C 13 25.487 0.3 . 1 . . . A 74 ARG CG . 25088 1 917 . 1 1 73 73 ARG CD C 13 40.165 0.3 . 1 . . . A 74 ARG CD . 25088 1 918 . 1 1 73 73 ARG N N 15 123.187 0.3 . 1 . . . A 74 ARG N . 25088 1 919 . 1 1 74 74 GLY H H 1 8.814 0.02 . 1 . . . A 75 GLY H . 25088 1 920 . 1 1 74 74 GLY HA2 H 1 3.786 0.02 . 2 . . . A 75 GLY HA2 . 25088 1 921 . 1 1 74 74 GLY HA3 H 1 4.308 0.02 . 2 . . . A 75 GLY HA3 . 25088 1 922 . 1 1 74 74 GLY C C 13 172.219 0.3 . 1 . . . A 75 GLY C . 25088 1 923 . 1 1 74 74 GLY CA C 13 43.06 0.3 . 1 . . . A 75 GLY CA . 25088 1 924 . 1 1 74 74 GLY N N 15 106.772 0.3 . 1 . . . A 75 GLY N . 25088 1 925 . 1 1 75 75 LYS H H 1 7.829 0.02 . 1 . . . A 76 LYS H . 25088 1 926 . 1 1 75 75 LYS HA H 1 4.118 0.02 . 1 . . . A 76 LYS HA . 25088 1 927 . 1 1 75 75 LYS HB2 H 1 1.542 0.02 . 1 . . . A 76 LYS HB2 . 25088 1 928 . 1 1 75 75 LYS HB3 H 1 1.542 0.02 . 1 . . . A 76 LYS HB3 . 25088 1 929 . 1 1 75 75 LYS HG2 H 1 0.948 0.02 . 1 . . . A 76 LYS HG2 . 25088 1 930 . 1 1 75 75 LYS HG3 H 1 0.948 0.02 . 1 . . . A 76 LYS HG3 . 25088 1 931 . 1 1 75 75 LYS HD2 H 1 1.274 0.02 . 1 . . . A 76 LYS HD2 . 25088 1 932 . 1 1 75 75 LYS HD3 H 1 1.274 0.02 . 1 . . . A 76 LYS HD3 . 25088 1 933 . 1 1 75 75 LYS HE2 H 1 2.589 0.02 . 2 . . . A 76 LYS HE2 . 25088 1 934 . 1 1 75 75 LYS HE3 H 1 2.769 0.02 . 2 . . . A 76 LYS HE3 . 25088 1 935 . 1 1 75 75 LYS C C 13 174.639 0.3 . 1 . . . A 76 LYS C . 25088 1 936 . 1 1 75 75 LYS CA C 13 54.76 0.3 . 1 . . . A 76 LYS CA . 25088 1 937 . 1 1 75 75 LYS CB C 13 30.973 0.3 . 1 . . . A 76 LYS CB . 25088 1 938 . 1 1 75 75 LYS CG C 13 22.837 0.3 . 1 . . . A 76 LYS CG . 25088 1 939 . 1 1 75 75 LYS CD C 13 26.404 0.3 . 1 . . . A 76 LYS CD . 25088 1 940 . 1 1 75 75 LYS CE C 13 40.063 0.3 . 1 . . . A 76 LYS CE . 25088 1 941 . 1 1 75 75 LYS N N 15 122.7 0.3 . 1 . . . A 76 LYS N . 25088 1 942 . 1 1 76 76 ILE H H 1 8.308 0.02 . 1 . . . A 77 ILE H . 25088 1 943 . 1 1 76 76 ILE HA H 1 4.068 0.02 . 1 . . . A 77 ILE HA . 25088 1 944 . 1 1 76 76 ILE HB H 1 1.759 0.02 . 1 . . . A 77 ILE HB . 25088 1 945 . 1 1 76 76 ILE HG12 H 1 1.162 0.02 . 2 . . . A 77 ILE HG12 . 25088 1 946 . 1 1 76 76 ILE HG13 H 1 1.408 0.02 . 2 . . . A 77 ILE HG13 . 25088 1 947 . 1 1 76 76 ILE HG21 H 1 1.004 0.02 . 1 . . . A 77 ILE HG21 . 25088 1 948 . 1 1 76 76 ILE HG22 H 1 1.004 0.02 . 1 . . . A 77 ILE HG22 . 25088 1 949 . 1 1 76 76 ILE HG23 H 1 1.004 0.02 . 1 . . . A 77 ILE HG23 . 25088 1 950 . 1 1 76 76 ILE HD11 H 1 0.803 0.02 . 1 . . . A 77 ILE HD11 . 25088 1 951 . 1 1 76 76 ILE HD12 H 1 0.803 0.02 . 1 . . . A 77 ILE HD12 . 25088 1 952 . 1 1 76 76 ILE HD13 H 1 0.803 0.02 . 1 . . . A 77 ILE HD13 . 25088 1 953 . 1 1 76 76 ILE C C 13 174.066 0.3 . 1 . . . A 77 ILE C . 25088 1 954 . 1 1 76 76 ILE CA C 13 58.676 0.3 . 1 . . . A 77 ILE CA . 25088 1 955 . 1 1 76 76 ILE CB C 13 36.162 0.3 . 1 . . . A 77 ILE CB . 25088 1 956 . 1 1 76 76 ILE CG1 C 13 24.672 0.3 . 1 . . . A 77 ILE CG1 . 25088 1 957 . 1 1 76 76 ILE CG2 C 13 15.09 0.3 . 1 . . . A 77 ILE CG2 . 25088 1 958 . 1 1 76 76 ILE CD1 C 13 10.401 0.3 . 1 . . . A 77 ILE CD1 . 25088 1 959 . 1 1 76 76 ILE N N 15 122.609 0.3 . 1 . . . A 77 ILE N . 25088 1 960 . 1 1 77 77 SER H H 1 8.311 0.02 . 1 . . . A 78 SER H . 25088 1 961 . 1 1 77 77 SER HA H 1 4.321 0.02 . 1 . . . A 78 SER HA . 25088 1 962 . 1 1 77 77 SER HB2 H 1 3.696 0.02 . 1 . . . A 78 SER HB2 . 25088 1 963 . 1 1 77 77 SER HB3 H 1 3.696 0.02 . 1 . . . A 78 SER HB3 . 25088 1 964 . 1 1 77 77 SER C C 13 171.879 0.3 . 1 . . . A 78 SER C . 25088 1 965 . 1 1 77 77 SER CA C 13 55.419 0.3 . 1 . . . A 78 SER CA . 25088 1 966 . 1 1 77 77 SER CB C 13 61.322 0.3 . 1 . . . A 78 SER CB . 25088 1 967 . 1 1 77 77 SER N N 15 119.421 0.3 . 1 . . . A 78 SER N . 25088 1 968 . 1 1 78 78 ASN H H 1 8.368 0.02 . 1 . . . A 79 ASN H . 25088 1 969 . 1 1 78 78 ASN HA H 1 4.654 0.02 . 1 . . . A 79 ASN HA . 25088 1 970 . 1 1 78 78 ASN HB2 H 1 2.679 0.02 . 1 . . . A 79 ASN HB2 . 25088 1 971 . 1 1 78 78 ASN HB3 H 1 2.679 0.02 . 1 . . . A 79 ASN HB3 . 25088 1 972 . 1 1 78 78 ASN HD21 H 1 6.807 0.02 . 1 . . . A 79 ASN HD21 . 25088 1 973 . 1 1 78 78 ASN HD22 H 1 7.519 0.02 . 1 . . . A 79 ASN HD22 . 25088 1 974 . 1 1 78 78 ASN C C 13 172.903 0.3 . 1 . . . A 79 ASN C . 25088 1 975 . 1 1 78 78 ASN CA C 13 50.767 0.3 . 1 . . . A 79 ASN CA . 25088 1 976 . 1 1 78 78 ASN CB C 13 36.421 0.3 . 1 . . . A 79 ASN CB . 25088 1 977 . 1 1 78 78 ASN N N 15 121.025 0.3 . 1 . . . A 79 ASN N . 25088 1 978 . 1 1 78 78 ASN ND2 N 15 112.071 0.3 . 1 . . . A 79 ASN ND2 . 25088 1 979 . 1 1 79 79 SER H H 1 8.172 0.02 . 1 . . . A 80 SER H . 25088 1 980 . 1 1 79 79 SER HA H 1 3.703 0.02 . 1 . . . A 80 SER HA . 25088 1 981 . 1 1 79 79 SER HB2 H 1 1.403 0.02 . 1 . . . A 80 SER HB2 . 25088 1 982 . 1 1 79 79 SER HB3 H 1 1.403 0.02 . 1 . . . A 80 SER HB3 . 25088 1 983 . 1 1 79 79 SER C C 13 171.906 0.3 . 1 . . . A 80 SER C . 25088 1 984 . 1 1 79 79 SER CA C 13 56.139 0.3 . 1 . . . A 80 SER CA . 25088 1 985 . 1 1 79 79 SER CB C 13 61.33 0.3 . 1 . . . A 80 SER CB . 25088 1 986 . 1 1 79 79 SER N N 15 115.947 0.3 . 1 . . . A 80 SER N . 25088 1 stop_ save_